Geometry & MOs

Info

ID:	406370
PubChem CID:	135077387
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	1.75
IP(EA), eV:	-9.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-phenylbut-2-enyl] N-(4-methylphenyl)sulfonylcarbamate

Drug info:

PubChemData

Smile

COC(=O)/C(=C/C1=CC=CC=C1)/NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations