Geometry & MOs

Info

ID:	342212
PubChem CID:	127264989
Reduced:	ClSN2O3H13C16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-45.19
Dipole, Da:	7.36
IP(EA), eV:	-8.54(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-nitrophenyl)ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)C(C#N)C(=O)NC2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations