Geometry & MOs

Info

ID:	34015
PubChem CID:	7889435
Reduced:	OS2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	346.092204
ΔH_f, kcal/mol:	31.82
Dipole, Da:	6.48
IP(EA), eV:	-9.27(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-cyanocyclohexyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations