Geometry & MOs

Info

ID:	33848
PubChem CID:	7888440
Reduced:	ON2S2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	383.037389
ΔH_f, kcal/mol:	24.59
Dipole, Da:	4.51
IP(EA), eV:	-8.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

C1CCO[C@@H](C1)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations