Geometry & MOs

Info

ID:	143950
PubChem CID:	53286554
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-162.58
Dipole, Da:	7.22
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CCCC(=O)NCC2=CC=CO2)S(=O)(=O)C

DOS

IR

Vibrations