Geometry & MOs

Info

ID:

180082

PubChem CID:

76573996

Reduced:

N2F3O6C20H25 (1)

Stoich.:

A2B3C6D20E25 (1)

Weight, g/mol:

452.215866

ΔHf, kcal/mol:

-378.15

Dipole, Da:

3.45

IP(EA), eV:

 -10.15(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-4-oxo-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)C1(CO1)CO)NC(=O)C(CO)NC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations