Geometry & MOs

Info

ID:	238246
PubChem CID:	92729832
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-95.95
Dipole, Da:	2.55
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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)C3=CC=CS3

DOS

IR

Vibrations