Geometry & MOs

Info

ID:	32932
PubChem CID:	7849512
Reduced:	NSO6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	413.129694
ΔH_f, kcal/mol:	-212.51
Dipole, Da:	7.2
IP(EA), eV:	-8.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] (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=CC=CC=C2OC

DOS

IR

Vibrations