Geometry & MOs

Info

ID:	60807
PubChem CID:	26702406
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	294.116841
ΔH_f, kcal/mol:	-62.03
Dipole, Da:	4.63
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-5-methylphenyl)-3-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)NC(=O)C[C@@H](C)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations