Geometry & MOs

Info

ID:	1135
PubChem CID:	3837
Reduced:	ClSN2O4C26H29 (1)
Stoich.:	ABC2D4E26F29 (1)
Weight, g/mol:	500.153656
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	7.44
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-(4-chlorophenyl)prop-2-enyl-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations