Geometry & MOs

Info

ID:	167771
PubChem CID:	74872219
Reduced:	NSO4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	-104.87
Dipole, Da:	2.69
IP(EA), eV:	-8.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-bromo-2-(2-carbamoylpyrrolidin-1-yl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)NC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations