Geometry & MOs

Info

ID:	149041
PubChem CID:	53788712
Reduced:	N3O7C20H27 (1)
Stoich.:	A3B7C20D27 (1)
Weight, g/mol:	638.114807
ΔH_f, kcal/mol:	-276.34
Dipole, Da:	4.52
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetyl]amino]-3-[[1-(3-methoxy-3-oxopropyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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

C1C2CC3CC1CC(C2)(C3)C(=O)OC[C@@H]4[C@H]([C@H](C(O4)NC(=C5C(=O)C=NN5)O)O)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

C1C2CC3CC1CC(C2)(C3)C(=O)OC[C@@H]4[C@H]([C@H](C(O4)NC(=C5C(=O)C=NN5)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):