Geometry & MOs

Info

ID:	33872
PubChem CID:	7888529
Reduced:	OS2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	340.070405
ΔH_f, kcal/mol:	39.68
Dipole, Da:	4.13
IP(EA), eV:	-9.19(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@](C)(C#N)C(C)C)SC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations