Geometry & MOs

Info

ID:	339766
PubChem CID:	127261775
Reduced:	OC18H20 (1)
Stoich.:	AB18C20 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	-12.08
Dipole, Da:	1.54
IP(EA), eV:	-9.24(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylcarbamoylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1C2=CC=CC=C2[C@@H](O1)C3=CC=CC=C3

DOS

IR

Vibrations