Geometry & MOs

Info

ID:	15955
PubChem CID:	456272
Reduced:	SN5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	347.120467
ΔH_f, kcal/mol:	102.51
Dipole, Da:	6.21
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-(naphthalen-1-ylsulfanylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=NC2=NC=C1CSC3=CC=CC4=CC=CC=C43)N)N

DOS

IR

Vibrations