Geometry & MOs

Info

ID:	22250
PubChem CID:	596414
Reduced:	SN3O3H13C16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	327.067762
ΔH_f, kcal/mol:	30.35
Dipole, Da:	10.21
IP(EA), eV:	-9.42(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C#N)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations