Geometry & MOs

Info

ID:	393575
PubChem CID:	135021060
Reduced:	NSO2C31H35 (1)
Stoich.:	ABC2D31E35 (1)
Weight, g/mol:	423.150429
ΔH_f, kcal/mol:	17.2
Dipole, Da:	5.54
IP(EA), eV:	-8.97(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(1R,4R)-4-[(4-methylphenyl)sulfonylamino]cyclohex-2-en-1-yl]phenyl]prop-2-ynyl acetate

Drug info:

PubChemData

Smile

CCCCCCC#CC1=CC=CC=C1C/C=C/C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations