Geometry & MOs

Info

ID:	146442
PubChem CID:	53690195
Reduced:	O2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	465.026034
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	4.92
IP(EA), eV:	-9.04(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-(acetyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C)C(=C)CCC(C2=C1C)CC(=O)O)C)C

DOS

IR

Vibrations