Geometry & MOs

Info

ID:	233688
PubChem CID:	92092872
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	2.83
IP(EA), eV:	-9.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations