Geometry & MOs

Info

ID:	170362
PubChem CID:	75221350
Reduced:	ClSN2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	419.140259
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	4.2
IP(EA), eV:	-9.71(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations