Geometry & MOs

Info

ID:	80202
PubChem CID:	49833510
Reduced:	FO3N5C30H30 (1)
Stoich.:	AB3C5D30E30 (1)
Weight, g/mol:	520.094723
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	6.91
IP(EA), eV:	-8.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-1-ium-1-ylmethyl)-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

CCNC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5CCC(=O)CC5C6=CC(=CC=C6)F

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

CCNC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5CCC(=O)CC5C6=CC(=CC=C6)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):