Geometry & MOs

Info

ID:

414873

PubChem CID:

135087845

Reduced:

S2O7N8C36H48 (1)

Stoich.:

A2B7C8D36E48 (1)

Weight, g/mol:

352.179835

ΔHf, kcal/mol:

-167.02

Dipole, Da:

7.57

IP(EA), eV:

 -8.1(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)C3=C(OC=N3)C)CC4=CC=CC=C4)CCSC

DOS

IR

Vibrations