Geometry & MOs

Info

ID:	405755
PubChem CID:	135075306
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	355.108959
ΔH_f, kcal/mol:	-157.28
Dipole, Da:	4.89
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-6-[(4-methylphenyl)sulfonylcarbamoyloxy]hex-4-enyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC/C=C\COCC2=CC=CC=C2

DOS

IR

Vibrations