Geometry & MOs

Info

ID:	150023
PubChem CID:	53789708
Reduced:	ClN4O6C34H45 (1)
Stoich.:	AB4C6D34E45 (1)
Weight, g/mol:	669.182158
ΔH_f, kcal/mol:	-65.45
Dipole, Da:	5.94
IP(EA), eV:	-9.32(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropoxycarbonyloxy)ethyl (6S,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCCCCCCCCCCCCCCCOC1=CC(=NNC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3C1=O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCCCCCCCCCCCCCCCOC1=CC(=NNC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3C1=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):