Geometry & MOs

Info

ID:

84398

PubChem CID:

49866219

Reduced:

N5O18C62H93 (1)

Stoich.:

A5B18C62D93 (1)

Weight, g/mol:

461.21147

ΔHf, kcal/mol:

-701.24

Dipole, Da:

15.89

IP(EA), eV:

 -8.97(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]methyl]-1-methylindol-5-yl]-3-hydroxy-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)C6=CC=CC=C6)O)O)(C)OC)C)O[C@H]7[C@@H]([C@H](C[C@H](O7)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN8C=NC9=C8C=CC=N9)C

DOS

IR

Vibrations