Geometry & MOs

Info

ID:	337925
PubChem CID:	127258548
Reduced:	NO8C18H21 (1)
Stoich.:	AB8C18D21 (1)
Weight, g/mol:	362.118795
ΔH_f, kcal/mol:	-313.35
Dipole, Da:	4.45
IP(EA), eV:	-10.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylphenyl)sulfonyl-2-phenoxyethyl] butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)O)C1(C(=O)OCC2=CC=CC=C2C(=O)N1)OCCCC(=O)O

DOS

IR

Vibrations