Geometry & MOs

Info

ID:	34017
PubChem CID:	7889440
Reduced:	OS2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	357.096955
ΔH_f, kcal/mol:	21.27
Dipole, Da:	0.91
IP(EA), eV:	-9.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@](C)(C#N)C(C)C)SC1=NC=NC2=C1C=CS2

DOS

IR

Vibrations