Geometry & MOs

Info

ID:	134609
PubChem CID:	51725133
Reduced:	SN2O3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	1.68
IP(EA), eV:	-9.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN([C@@H](C2=C1SC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)[C@H]5CC=CC[C@@H]5C4=O

DOS

IR

Vibrations