Geometry & MOs

Info

ID:

419949

PubChem CID:

135110085

Reduced:

ClFN6O7C35H44 (1)

Stoich.:

ABC6D7E35F44 (1)

Weight, g/mol:

378.179087

ΔHf, kcal/mol:

-333.69

Dipole, Da:

10.42

IP(EA), eV:

 -9.15(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4R,5S)-9-(2,6-dihydroxybenzoyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=CC(=CC(=C4)Cl)F)O

DOS

IR

Vibrations