Geometry & MOs

Info

ID:	142094
PubChem CID:	52979186
Reduced:	ClNS2O3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	459.127107
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfonyl-4a,5,6,7,8,8a-hexahydrochromen-2-imine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3CC(CCC3OC2=NC4=CC(=CC=C4)SC)Cl

DOS

IR

Vibrations