Geometry & MOs

Info

ID:	222429
PubChem CID:	85300720
Reduced:	ClNSO2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	328.072907
ΔH_f, kcal/mol:	-64.94
Dipole, Da:	4.54
IP(EA), eV:	-8.85(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-7-[(4-methoxy-4-oxobut-2-en-2-yl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=CN(CC1=CC=C(C=C1)OC)C(=O)C(SC)Cl)C

DOS

IR

Vibrations