Geometry & MOs

Info

ID:	327564
PubChem CID:	126690351
Reduced:	SO2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	640.13311
ΔH_f, kcal/mol:	21.93
Dipole, Da:	3.95
IP(EA), eV:	-8.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-bromo-2,6-dichloro-3,5-dimethoxyphenyl)-2-[6-(3-imidazol-1-ylpropylamino)-3,5-dimethyl-2H-pyrimidin-4-yl]hept-2-enamide

Drug info:

PubChemData

Smile

CC=NC1=C(SC=C1C(=O)NC2=C3C(=CC(=C2)OC)C=CC=N3)C(=C)N

DOS

IR

Vibrations