Geometry & MOs

Info

ID:	262858
PubChem CID:	103323391
Reduced:	BrSN4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	64.35
Dipole, Da:	2.69
IP(EA), eV:	-8.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-N-(4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)N)NC3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations