Geometry & MOs

Info

ID:	194517
PubChem CID:	78548041
Reduced:	ClNSO4C18H18 (1)
Stoich.:	ABCD4E18F18 (1)
Weight, g/mol:	416.158351
ΔH_f, kcal/mol:	-132.35
Dipole, Da:	1.83
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)OC)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations