Geometry & MOs

Info

ID:	261134
PubChem CID:	103219164
Reduced:	FON4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	394.94213
ΔH_f, kcal/mol:	-0.57
Dipole, Da:	5.71
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-4-iodobenzoyl)amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCNC1=CC(=O)N(N=C1)CC2=C(C=CC(=C2)C#N)F

DOS

IR

Vibrations