Geometry & MOs

Info

ID:	37333
PubChem CID:	8019843
Reduced:	ClNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	418.213067
ΔH_f, kcal/mol:	-135.72
Dipole, Da:	6.28
IP(EA), eV:	-8.53(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3CCCC3)Cl

DOS

IR

Vibrations