Geometry & MOs

Info

ID:	158747
PubChem CID:	56468306
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	381.187484
ΔH_f, kcal/mol:	-84.46
Dipole, Da:	4.95
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)N3CCC(C3)NC4=CC=CC=C4

DOS

IR

Vibrations