Geometry & MOs

Info

ID:	17313
PubChem CID:	492746
Reduced:	ClSN4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	308.086245
ΔH_f, kcal/mol:	35.61
Dipole, Da:	3.73
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[1-(4-propan-2-ylpyridin-2-yl)ethylsulfanyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NC=C1)C(C)SC2=NC(=CC(=N2)Cl)N

DOS

IR

Vibrations