Geometry & MOs

Info

ID:	16476
PubChem CID:	470504
Reduced:	SN4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	292.078268
ΔH_f, kcal/mol:	113.6
Dipole, Da:	6.67
IP(EA), eV:	-8.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(naphthalen-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CSC3=NC(=CC(=N3)N)C#N

DOS

IR

Vibrations