Geometry & MOs

Info

ID:	77545
PubChem CID:	49655337
Reduced:	N4O6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	343.090309
ΔH_f, kcal/mol:	-111.78
Dipole, Da:	1.54
IP(EA), eV:	-8.38(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NO2)COC3=CC=CC=C3C(=O)N)OC

DOS

IR

Vibrations