Geometry & MOs

Info

ID:	135693
PubChem CID:	51917735
Reduced:	N2O7C25H26 (1)
Stoich.:	A2B7C25D26 (1)
Weight, g/mol:	462.251858
ΔH_f, kcal/mol:	-187.04
Dipole, Da:	9.92
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC4=CC(=CC5=C4OCOC5)[N+](=O)[O-]

DOS

IR

Vibrations