Geometry & MOs

Info

ID:	304346
PubChem CID:	124551026
Reduced:	ClSN2O3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	451.120192
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	6.01
IP(EA), eV:	-8.93(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethoxy-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)CC1=CC=CC=C1)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

DOS

IR

Vibrations