Geometry & MOs

Info

ID:	392977
PubChem CID:	135018758
Reduced:	NSO2C13H16 (2)
Stoich.:	ABC2D13E16 (2)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	11.26
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (E)-4-[but-2-ynyl-(4-methylphenyl)sulfonylamino]but-2-enoate

Drug info:

PubChemData

Smile

C/C=C/CN(C/C=C/CN(CC#CC)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations