Geometry & MOs

Info

ID:	433432
PubChem CID:	135173569
Reduced:	NSO4C19H27 (1)
Stoich.:	ABC4D19E27 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-177.83
Dipole, Da:	4.96
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methylcarbamoyl)cyclohexyl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2)C(=O)N3CCCC3

DOS

IR

Vibrations