Geometry & MOs

Info

ID:	135694
PubChem CID:	51918139
Reduced:	NO2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	462.251858
ΔH_f, kcal/mol:	-173.62
Dipole, Da:	3.14
IP(EA), eV:	-8.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-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

CC1=CC(=C(C(=C1)C)NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[C@@H]2C(=O)N3CCC4=CC=CC=C43)C

DOS

IR

Vibrations