Geometry & MOs

Info

ID:	147770
PubChem CID:	53787428
Reduced:	NOC3H8 (2)
Stoich.:	ABC3D8 (2)
Weight, g/mol:	440.014364
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	3.42
IP(EA), eV:	-9.31(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CNCO)NCO

DOS

IR

Vibrations