Geometry & MOs

Info

ID:	262837
PubChem CID:	103321883
Reduced:	ClSN3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	374.90441
ΔH_f, kcal/mol:	11.09
Dipole, Da:	6.18
IP(EA), eV:	-8.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2,6-difluorophenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1CCCC(C1)NC2=C3C=C(SC3=NC(=N2)Cl)C

DOS

IR

Vibrations