Geometry & MOs

Info

ID:	143074
PubChem CID:	53142852
Reduced:	SN4O5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	444.05857
ΔH_f, kcal/mol:	-127.09
Dipole, Da:	8.32
IP(EA), eV:	-8.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations