Geometry & MOs

Info

ID:	35959
PubChem CID:	7980555
Reduced:	ClFNOSC17H17 (1)
Stoich.:	ABCDEF17G17 (1)
Weight, g/mol:	384.051299
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	3.68
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-nitroanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CCCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations