Geometry & MOs

Info

ID:	67370
PubChem CID:	46506363
Reduced:	OSCl2N2H16C18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	358.090662
ΔH_f, kcal/mol:	-9.56
Dipole, Da:	6.2
IP(EA), eV:	-8.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-9,13-dimethyl-10-(3-methylphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

Drug info:

PubChemData

Smile

CC1C2C3=C(C=CC(=C3)Cl)OC1(N(C(=S)N2)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations