Geometry & MOs

Info

ID:	381587
PubChem CID:	134972370
Reduced:	ClN2O4C31H33 (1)
Stoich.:	AB2C4D31E33 (1)
Weight, g/mol:	509.233286
ΔH_f, kcal/mol:	-79.24
Dipole, Da:	3.72
IP(EA), eV:	-8.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4S)-3-(4-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@H](C1=CC=C(C=C1)Cl)C(CC2=CC=CC=C2)(C#N)N=CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations