Geometry & MOs

Info

ID:	26880
PubChem CID:	801241
Reduced:	FN2O5H9C16 (1)
Stoich.:	AB2C5D9E16 (1)
Weight, g/mol:	334.017891
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	1.26
IP(EA), eV:	-9.38(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chlorobenzoyl)carbamothioylamino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

DOS

IR

Vibrations