Geometry & MOs

Info

ID:	129217
PubChem CID:	51071959
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-162.88
Dipole, Da:	8.7
IP(EA), eV:	-9.17(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C(=O)NCCNC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations