Geometry & MOs

Info

ID:

423807

PubChem CID:

135120283

Reduced:

SN8O8C41H58 (1)

Stoich.:

AB8C8D41E58 (1)

Weight, g/mol:

358.200491

ΔHf, kcal/mol:

-323.81

Dipole, Da:

7.78

IP(EA), eV:

 -8.53(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)S(=O)(=O)N5CCCC5)C(C)C

DOS

IR

Vibrations