Geometry & MOs

Info

ID:	16475
PubChem CID:	470484
Reduced:	ClSN3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	303.059696
ΔH_f, kcal/mol:	57.7
Dipole, Da:	2.22
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(3,4-dihydronaphthalen-1-ylmethylsulfanyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(=C1)CSC3=NC(=CC(=N3)Cl)N

DOS

IR

Vibrations