Geometry & MOs

Info

ID:

138098

PubChem CID:

52313712

Reduced:

ClSO3N5H21C22 (1)

Stoich.:

ABC3D5E21F22 (1)

Weight, g/mol:

289.131408

ΔHf, kcal/mol:

-12.71

Dipole, Da:

2.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.045296

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxy-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)[N+]3=C(N2)C(=NC=C3)SCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations