Geometry & MOs

Info

ID:	439252
PubChem CID:	135229019
Reduced:	SO6N7H21C28 (1)
Stoich.:	AB6C7D21E28 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	8.37
IP(EA), eV:	-9.22(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[[6-(1-aminoethenyl)pyridin-2-yl]methoxy]-2-methylpyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=C6C(=NC=C5)NC(=O)C=N6

DOS

IR

Vibrations