Geometry & MOs

Info

ID:	242997
PubChem CID:	99214924
Reduced:	NSO6C23H31 (1)
Stoich.:	ABC6D23E31 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-207.57
Dipole, Da:	5.46
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NCC2(CCOCC2)C3=CC=CC=C3OC)OCCOC

DOS

IR

Vibrations