Geometry & MOs

Info

ID:	156099
PubChem CID:	56369124
Reduced:	FSO3N4C18H25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	418.10044
ΔH_f, kcal/mol:	-129.0
Dipole, Da:	10.01
IP(EA), eV:	-9.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=NNC(=C1)C(C)(C)C)NS(=O)(=O)C2=CC=CC=C2F

DOS

IR

Vibrations