Geometry & MOs

Info

ID:	196216
PubChem CID:	78798900
Reduced:	INO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	3.45
IP(EA), eV:	-9.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-5-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(CC2=CC=CC=C2O)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations