Geometry & MOs

Info

ID:	66061
PubChem CID:	46490933
Reduced:	FS2N4O6H15C19 (1)
Stoich.:	AB2C4D6E15F19 (1)
Weight, g/mol:	459.092263
ΔH_f, kcal/mol:	-109.0
Dipole, Da:	8.43
IP(EA), eV:	-9.27(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(3-propoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

DOS

IR

Vibrations