Geometry & MOs

Info

ID:	135477
PubChem CID:	51878198
Reduced:	OSN2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	390.118418
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	7.78
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)SC1=NC2=C(C=CS2)C(=O)N1CC=C

DOS

IR

Vibrations