Geometry & MOs

Info

ID:	336938
PubChem CID:	127255945
Reduced:	ClNO2C20H26 (1)
Stoich.:	ABC2D20E26 (1)
Weight, g/mol:	347.165207
ΔH_f, kcal/mol:	-103.3
Dipole, Da:	4.32
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)C[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl

DOS

IR

Vibrations