Geometry & MOs

Info

ID:	32907
PubChem CID:	7849363
Reduced:	SF2O6H18C19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	401.06266
ΔH_f, kcal/mol:	-314.72
Dipole, Da:	3.96
IP(EA), eV:	-9.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-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)OC(F)F

DOS

IR

Vibrations