Geometry & MOs

Info

ID:	33827
PubChem CID:	7888309
Reduced:	OS2N4H14C17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	368.076553
ΔH_f, kcal/mol:	77.94
Dipole, Da:	3.4
IP(EA), eV:	-8.97(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-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)SCC4=NN=C(O4)C

DOS

IR

Vibrations