Geometry & MOs

Info

ID:	238312
PubChem CID:	92729975
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-109.42
Dipole, Da:	7.08
IP(EA), eV:	-9.35(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-butyl-1-[4-[(4-chlorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations