Geometry & MOs

Info

ID:	33401
PubChem CID:	7886272
Reduced:	OS2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	378.115047
ΔH_f, kcal/mol:	9.35
Dipole, Da:	7.94
IP(EA), eV:	-9.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclopentyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#N)NC(=O)CSC1=NC=NC2=C1C3=C(S2)CCCC3

DOS

IR

Vibrations