Geometry & MOs

Info

ID:	268503
PubChem CID:	103599669
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	416.188212
ΔH_f, kcal/mol:	-94.08
Dipole, Da:	0.32
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N(CC2=CC=CO2)C3CCN(CC3)C

DOS

IR

Vibrations