Geometry & MOs

Info

ID:	145488
PubChem CID:	53535267
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	407.139151
ΔH_f, kcal/mol:	-121.85
Dipole, Da:	4.51
IP(EA), eV:	-8.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)CCN1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC

DOS

IR

Vibrations