Geometry & MOs

Info

ID:	187004
PubChem CID:	77515416
Reduced:	SN3O7H17C21 (1)
Stoich.:	AB3C7D17E21 (1)
Weight, g/mol:	415.083806
ΔH_f, kcal/mol:	-187.92
Dipole, Da:	5.87
IP(EA), eV:	-9.17(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitrophenyl)sulfanyl-4-oxo-1-(1-phenylethylcarbamoyl)azetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C4=NC=C(C34)C(=O)O

DOS

IR

Vibrations