Geometry & MOs

Info

ID:	55726
PubChem CID:	17396192
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	370.021262
ΔH_f, kcal/mol:	-75.01
Dipole, Da:	4.8
IP(EA), eV:	-8.3(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations