Geometry & MOs

Info

ID:	262857
PubChem CID:	103323362
Reduced:	SN2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	348.00443
ΔH_f, kcal/mol:	83.41
Dipole, Da:	1.04
IP(EA), eV:	-8.36(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-3-methylphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=NC(=C2C=CSC2=N1)NC3=CC=C(C=C3)SC

DOS

IR

Vibrations