Geometry & MOs

Info

ID:	33828
PubChem CID:	7888311
Reduced:	OS2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	343.081305
ΔH_f, kcal/mol:	53.63
Dipole, Da:	5.39
IP(EA), eV:	-9.21(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-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)NCCC#N

DOS

IR

Vibrations