Geometry & MOs

Info

ID:	175316
PubChem CID:	75882780
Reduced:	SN2O5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	450.1647
ΔH_f, kcal/mol:	-171.67
Dipole, Da:	4.73
IP(EA), eV:	-9.26(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3CCCO3

DOS

IR

Vibrations