Geometry & MOs

Info

ID:	32969
PubChem CID:	7849795
Reduced:	NSO5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-177.07
Dipole, Da:	4.39
IP(EA), eV:	-8.86(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=CC=CC=C2C

DOS

IR

Vibrations