Geometry & MOs

Info

ID:	44727
PubChem CID:	10505602
Reduced:	N3O5C28H43 (1)
Stoich.:	A3B5C28D43 (1)
Weight, g/mol:	465.287909
ΔH_f, kcal/mol:	-260.13
Dipole, Da:	2.21
IP(EA), eV:	-9.5(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 5-O-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3S)-2-amino-3-phenylpentanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(C(=O)NC3CCCCCCC3)O

DOS

IR

Vibrations