Geometry & MOs

Info

ID:	238245
PubChem CID:	92729831
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-158.22
Dipole, Da:	7.63
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

DOS

IR

Vibrations