Geometry & MOs

Info

ID:	67371
PubChem CID:	46506364
Reduced:	ClOSN2C19H19 (1)
Stoich.:	ABCD2E19F19 (1)
Weight, g/mol:	432.127441
ΔH_f, kcal/mol:	-10.15
Dipole, Da:	5.86
IP(EA), eV:	-8.47(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-10-[2-(3,4-dimethoxyphenyl)ethyl]-9,13-dimethyl-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)C)C

DOS

IR

Vibrations