Geometry & MOs

Info

ID:	131134
PubChem CID:	51161255
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	332.059756
ΔH_f, kcal/mol:	-53.68
Dipole, Da:	1.7
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3

DOS

IR

Vibrations