Geometry & MOs

Info

ID:	232988
PubChem CID:	87577879
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	6.64
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-phenylpenta-2,4-dienoate;4,4-dimethylpent-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations