Geometry & MOs

Info

ID:	16311
PubChem CID:	464021
Reduced:	SN6C14H14 (1)
Stoich.:	AB6C14D14 (1)
Weight, g/mol:	298.100066
ΔH_f, kcal/mol:	95.87
Dipole, Da:	4.02
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-methylphenyl)sulfanylmethyl]pteridine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SCC2=CN=C3C(=N2)C(=NC(=N3)N)N

DOS

IR

Vibrations