Geometry & MOs

Info

ID:	407074
PubChem CID:	135079280
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	618.1647
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	1.66
IP(EA), eV:	-9.03(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-[(E)-2-[1-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]ethenyl]naphthalen-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)ONC(=O)CCC/C=C/C2=CC=CC=C2)C

DOS

IR

Vibrations