Geometry & MOs

Info

ID:	34016
PubChem CID:	7889436
Reduced:	OS2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	334.092204
ΔH_f, kcal/mol:	24.12
Dipole, Da:	4.54
IP(EA), eV:	-9.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1(CCCCC1)C#N)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations