Geometry & MOs

Info

ID:	238242
PubChem CID:	92729828
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-156.35
Dipole, Da:	6.24
IP(EA), eV:	-9.21(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methylbutyl)-1-[4-(pentanoylamino)benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@@H]2C(=O)NCCC(C)C

DOS

IR

Vibrations