Geometry & MOs

Info

ID:	33605
PubChem CID:	7887156
Reduced:	SN2O3H12C18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	367.081305
ΔH_f, kcal/mol:	-24.89
Dipole, Da:	4.03
IP(EA), eV:	-9.07(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3C#N

DOS

IR

Vibrations