Geometry & MOs

Info

ID:	320747
PubChem CID:	126663163
Reduced:	N2S2C3H10 (1)
Stoich.:	A2B2C3D10 (1)
Weight, g/mol:	573.154469
ΔH_f, kcal/mol:	6.16
Dipole, Da:	2.73
IP(EA), eV:	-8.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-[4-(4-hydroxyphenyl)sulfanylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-methylcyclohexa-1,3-dien-1-yl]sulfanylphenol

Drug info:

PubChemData

Smile

CNSSN(C)C

DOS

IR

Vibrations