Geometry & MOs

Info

ID:	67375
PubChem CID:	46506371
Reduced:	ClSN2O2F3H18C20 (1)
Stoich.:	ABC2D2E3F18G20 (1)
Weight, g/mol:	408.111934
ΔH_f, kcal/mol:	-196.66
Dipole, Da:	9.95
IP(EA), eV:	-8.69(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-9,13-dimethyl-10-[3-(trifluoromethyl)phenyl]-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)OC)OC1(N(C(=S)N2)C4=CC(=C(C=C4)Cl)C(F)(F)F)C

DOS

IR

Vibrations