Geometry & MOs

Info

ID:

416167

PubChem CID:

135089175

Reduced:

O5N7C39H45 (1)

Stoich.:

A5B7C39D45 (1)

Weight, g/mol:

410.220557

ΔHf, kcal/mol:

-136.64

Dipole, Da:

3.52

IP(EA), eV:

 -9.33(-1.35)

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]-4-(2-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC5=NC=CN=C5C=C4

DOS

IR

Vibrations