Geometry & MOs

Info

ID:	67374
PubChem CID:	46506369
Reduced:	BrClOSN2F3H15C19 (1)
Stoich.:	ABCDE2F3G15H19 (1)
Weight, g/mol:	442.072961
ΔH_f, kcal/mol:	-160.11
Dipole, Da:	7.71
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[4-chloro-3-(trifluoromethyl)phenyl]-6-methoxy-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)Br)OC1(N(C(=S)N2)C4=CC(=C(C=C4)Cl)C(F)(F)F)C

DOS

IR

Vibrations