Geometry & MOs

Info

ID:	163404
PubChem CID:	57936652
Reduced:	NO3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-117.41
Dipole, Da:	6.69
IP(EA), eV:	-8.75(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,7aS)-1-[(2R,4R)-7-hydroxy-2-methyl-5-oxo-4-propylhept-6-ynoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@H](C[C@@H](C)C(N1[C@@H](C[C@H]2[C@@H]1CCCC2)C)O)C(=O)C#CO

DOS

IR

Vibrations