Geometry & MOs

Info

ID:	67366
PubChem CID:	46506357
Reduced:	SN2O2H22C25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	434.085577
ΔH_f, kcal/mol:	74.98
Dipole, Da:	3.51
IP(EA), eV:	-8.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-(9-methyl-10-phenyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N2C3CC(N(C2=S)C4=CC=CC=C4)(OC5=CC=CC=C35)C

DOS

IR

Vibrations