Geometry & MOs

Info

ID:

419364

PubChem CID:

135108040

Reduced:

FNOCl2C17H22 (1)

Stoich.:

ABCD2E17F22 (1)

Weight, g/mol:

548.227099

ΔHf, kcal/mol:

-101.94

Dipole, Da:

2.07

IP(EA), eV:

 -9.0(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)CC3=CC(=C(C=C3Cl)Cl)F

DOS

IR

Vibrations