Geometry & MOs

Info

ID:	58281
PubChem CID:	24434917
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	-56.11
Dipole, Da:	4.92
IP(EA), eV:	-8.36(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[(E)-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethylideneamino]benzamide

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC(=CC=C2)N(C)C)OC

DOS

IR

Vibrations