Geometry & MOs

Info

ID:

165442

PubChem CID:

74549221

Reduced:

N2O4C15H17 (1)

Stoich.:

A2B4C15D17 (1)

Weight, g/mol:

274.028239

ΔHf, kcal/mol:

-99.24

Dipole, Da:

4.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.955722

Charge, e:

 -1

Chem-info

IUPAC name:

2-[(5-chloro-2-fluorobenzoyl)amino]-3-hydroxybutanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C=CC(=O)[O-]

DOS

IR

Vibrations