Geometry & MOs

Info

ID:	238793
PubChem CID:	93165513
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-191.59
Dipole, Da:	7.74
IP(EA), eV:	-8.84(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)/C=C\C1=CC(=C(C=C1)OC)O

DOS

IR

Vibrations