Geometry & MOs

Info

ID:	244197
PubChem CID:	99319336
Reduced:	ClF2N2O4C19H19 (1)
Stoich.:	AB2C2D4E19F19 (1)
Weight, g/mol:	350.090055
ΔH_f, kcal/mol:	-219.62
Dipole, Da:	3.4
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)OC

DOS

IR

Vibrations