Geometry & MOs

Info

ID:	336942
PubChem CID:	127255949
Reduced:	ClNO2C21H28 (1)
Stoich.:	ABC2D21E28 (1)
Weight, g/mol:	325.204179
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	3.02
IP(EA), eV:	-8.75(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations