Geometry & MOs

Info

ID:	194489
PubChem CID:	78544670
Reduced:	ClN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	387.077658
ΔH_f, kcal/mol:	-142.22
Dipole, Da:	3.64
IP(EA), eV:	-8.5(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)OC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations