Geometry & MOs

Info

ID:	16312
PubChem CID:	464024
Reduced:	SN5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	311.120467
ΔH_f, kcal/mol:	75.49
Dipole, Da:	6.14
IP(EA), eV:	-8.68(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[(3-methylphenyl)sulfanylmethyl]pyrido[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SCC2=CN=C3C(=C2C)C(=NC(=N3)N)N

DOS

IR

Vibrations