Geometry & MOs

Info

ID:	407427
PubChem CID:	135080084
Reduced:	NO3C30H35 (1)
Stoich.:	AB3C30D35 (1)
Weight, g/mol:	539.339944
ΔH_f, kcal/mol:	-75.88
Dipole, Da:	2.04
IP(EA), eV:	-9.19(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,5S)-2-(cyclohexylmethyl)-7-methyl-4-oxo-5-(tritylamino)octanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)[C@H](CC(C)C)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations