Geometry & MOs

Info

ID:	11339
PubChem CID:	114149
Reduced:	SN2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	462.191189
ΔH_f, kcal/mol:	72.36
Dipole, Da:	4.01
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,6-trimethyl-1-[4-[4-(4,4,6-trimethyl-2-sulfanylpyrimidin-1-yl)phenyl]phenyl]pyrimidine-2-thiol

Drug info:

PubChemData

Smile

CC1=CC(N=C(N1C2=CC=C(C=C2)C3=CC=C(C=C3)N4C(=CC(N=C4S)(C)C)C)S)(C)C

DOS

IR

Vibrations