Geometry & MOs

Info

ID:	123006
PubChem CID:	50829849
Reduced:	FOSN7C25H32 (1)
Stoich.:	ABCD7E25F32 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	3.83
Dipole, Da:	8.36
IP(EA), eV:	-8.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=C(N=C3N2N=C(S3)N4CCN(CC4)CC(=O)N5CCCC5)C6=CC(=CC=C6)F

DOS

IR

Vibrations