Geometry & MOs

Info

ID:	36514
PubChem CID:	8007832
Reduced:	ClN2O5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	404.189555
ΔH_f, kcal/mol:	-184.82
Dipole, Da:	4.48
IP(EA), eV:	-8.48(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-(1-adamantyl)-2-[(4-butylphenyl)sulfonylamino]acetate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

DOS

IR

Vibrations