Geometry & MOs

Info

ID:	238797
PubChem CID:	93165520
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-201.48
Dipole, Da:	6.84
IP(EA), eV:	-9.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations