Geometry & MOs

Info

ID:	262856
PubChem CID:	103323353
Reduced:	BrSN4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	302.065989
ΔH_f, kcal/mol:	70.44
Dipole, Da:	3.97
IP(EA), eV:	-8.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-4-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=CSC2=N1)NC3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations