Geometry & MOs

Info

ID:	32946
PubChem CID:	7849665
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-192.65
Dipole, Da:	8.73
IP(EA), eV:	-10.17(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@@H](C)C(=O)NC2(CCCCC2)C#N

DOS

IR

Vibrations