Geometry & MOs

Info

ID:

308854

PubChem CID:

126522935

Reduced:

N2O6C27H38 (1)

Stoich.:

A2B6C27D38 (1)

Weight, g/mol:

486.272987

ΔHf, kcal/mol:

-276.17

Dipole, Da:

3.16

IP(EA), eV:

 -8.9(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-6-(2-hydroxyethyl)-5-methoxy-3-[(1S,3R)-3-[[(2S)-oxolane-2-carbonyl]amino]cyclohexyl]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C(=C2)OC)CCO)[C@H]3CCC[C@H](C3)NC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations