Geometry & MOs

Info

ID:	32977
PubChem CID:	7849905
Reduced:	NSO7C19H21 (1)
Stoich.:	ABC7D19E21 (1)
Weight, g/mol:	389.129694
ΔH_f, kcal/mol:	-243.79
Dipole, Da:	3.6
IP(EA), eV:	-8.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-phenylpropylamino)ethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations