Geometry & MOs

Info

ID:	302373
PubChem CID:	124361486
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-152.22
Dipole, Da:	3.4
IP(EA), eV:	-8.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-methyl-2-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]pentanoic acid

Drug info:

PubChemData

Smile

C1CC[C@]2(CCN([C@@H]([C@@H]2C1)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CO5)O

DOS

IR

Vibrations