Geometry & MOs

Info

ID:	34036
PubChem CID:	7889504
Reduced:	O2S2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	346.092204
ΔH_f, kcal/mol:	-23.58
Dipole, Da:	4.29
IP(EA), eV:	-8.79(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)[C@H](C)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations