Geometry & MOs

Info

ID:	156195
PubChem CID:	56369476
Reduced:	BrSN3O4C19H22 (1)
Stoich.:	ABC3D4E19F22 (1)
Weight, g/mol:	386.07422
ΔH_f, kcal/mol:	-123.96
Dipole, Da:	8.41
IP(EA), eV:	-9.1(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)NNC(=O)CC3CCS(=O)(=O)C3

DOS

IR

Vibrations