Geometry & MOs

Info

ID:

418723

PubChem CID:

135106644

Reduced:

N2O5C19H24 (1)

Stoich.:

A2B5C19D24 (1)

Weight, g/mol:

511.195465

ΔHf, kcal/mol:

-190.47

Dipole, Da:

5.15

IP(EA), eV:

 -9.09(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10,12,14(25),20(24),21-hexaene-12-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O)OC1

DOS

IR

Vibrations