Geometry & MOs

Info

ID:	34014
PubChem CID:	7889431
Reduced:	N2O2S2H12C15 (1)
Stoich.:	A2B2C2D12E15 (1)
Weight, g/mol:	332.076553
ΔH_f, kcal/mol:	13.45
Dipole, Da:	3.59
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations