Geometry & MOs

Info

ID:	262932
PubChem CID:	103329864
Reduced:	SN4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	381.96546
ΔH_f, kcal/mol:	19.21
Dipole, Da:	4.68
IP(EA), eV:	-8.01(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=C(SC2=N1)C)N3CCC(C3)CC

DOS

IR

Vibrations