Geometry & MOs

Info

ID:	245448
PubChem CID:	99444910
Reduced:	OSN2C24H26 (1)
Stoich.:	ABC2D24E26 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	17.55
Dipole, Da:	3.5
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CCC2=CC=CC=C2)C(=O)CC3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations