Geometry & MOs

Info

ID:	130145
PubChem CID:	51075050
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-24.18
Dipole, Da:	5.0
IP(EA), eV:	-8.72(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxo-1-phenylethyl)-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)NC(=O)C(C)N2C(=C)C3=CC=CC=C3C2=O

DOS

IR

Vibrations