Geometry & MOs

Info

ID:	32943
PubChem CID:	7849662
Reduced:	FSO5H17C18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-213.54
Dipole, Da:	5.1
IP(EA), eV:	-10.26(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,6-di(propan-2-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)C2=CC=C(C=C2)F

DOS

IR

Vibrations