Geometry & MOs

Info

ID:	83001
PubChem CID:	49856973
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	4.2
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations