Geometry & MOs

Info

ID:	33839
PubChem CID:	7888379
Reduced:	OS2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	408.107854
ΔH_f, kcal/mol:	69.71
Dipole, Da:	5.93
IP(EA), eV:	-9.1(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N[C@@](C)(C#N)C4CC4

DOS

IR

Vibrations