Geometry & MOs

Info

ID:	137837
PubChem CID:	52270579
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	12.02
Dipole, Da:	6.04
IP(EA), eV:	-8.89(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)NC2=CC(=CC=C2)OCCN3C=CC=N3)C4=CSC=C4

DOS

IR

Vibrations