Geometry & MOs

Info

ID:	176650
PubChem CID:	76079394
Reduced:	NSO2C10H19 (1)
Stoich.:	ABC2D10E19 (1)
Weight, g/mol:	567.048701
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	3.8
IP(EA), eV:	-9.07(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-aminoethylsulfanylmethyl)pyridin-4-yl]sulfanyl-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-nitrosoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)OC(C)(C)C)S

DOS

IR

Vibrations