Geometry & MOs

Info

ID:	16374
PubChem CID:	466053
Reduced:	SN5H15C18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	333.104817
ΔH_f, kcal/mol:	102.15
Dipole, Da:	2.56
IP(EA), eV:	-8.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(naphthalen-2-ylsulfanylmethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)SCC3=NC4=C(C=C3)N=C(N=C4N)N

DOS

IR

Vibrations