Geometry & MOs

Info

ID:	289311
PubChem CID:	104344897
Reduced:	OS2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	323.085911
ΔH_f, kcal/mol:	54.67
Dipole, Da:	3.95
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)sulfanyl-2-(ethoxymethyl)-N-ethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)SC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations