Geometry & MOs

Info

ID:	238792
PubChem CID:	93165512
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	3.19
IP(EA), eV:	-8.89(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[[(Z)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)[C@H](CN)N2C[C@H](O[C@@H](C2)C)C

DOS

IR

Vibrations