Geometry & MOs

Info

ID:	30627
PubChem CID:	841589
Reduced:	FN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	345.078327
ΔH_f, kcal/mol:	-171.15
Dipole, Da:	4.66
IP(EA), eV:	-9.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-4-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=C(C=C2)F)CCN3CCOCC3)O

DOS

IR

Vibrations