Geometry & MOs

Info

ID:	243209
PubChem CID:	99216992
Reduced:	ClO2N5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	371.108148
ΔH_f, kcal/mol:	-6.09
Dipole, Da:	5.73
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluoro-5-nitrophenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)CC2=CC(=CC=C2)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations