Geometry & MOs

Info

ID:	377845
PubChem CID:	134223910
Reduced:	NOS2H21C35 (1)
Stoich.:	ABC2D21E35 (1)
Weight, g/mol:	567.231063
ΔH_f, kcal/mol:	118.03
Dipole, Da:	6.11
IP(EA), eV:	-8.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-diphenyl-2-[3-[6-(2-phenylmethoxyphenyl)pyridin-3-yl]phenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=CC=C/C(=C/5\C=CC=C(N5)C6=CC=CC7=C6SC8=CC=CC=C78)/C4=O

DOS

IR

Vibrations