Geometry & MOs

Info

ID:	16479
PubChem CID:	470524
Reduced:	ClSN3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	307.090997
ΔH_f, kcal/mol:	28.93
Dipole, Da:	1.96
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloropyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N

DOS

IR

Vibrations