Geometry & MOs

Info

ID:	143077
PubChem CID:	53143492
Reduced:	ON4H20C24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	412.135782
ΔH_f, kcal/mol:	75.18
Dipole, Da:	3.25
IP(EA), eV:	-9.0(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CN=C(N=C2C3=CC=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations