Geometry & MOs

Info

ID:	261122
PubChem CID:	103218723
Reduced:	FO2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	420.90364
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	4.14
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chloro-4-iodobenzoyl)amino]-3-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CNC1=CC(=O)N(N=C1)CC2=C(C=C(C=C2)C(=O)N)F

DOS

IR

Vibrations