Geometry & MOs

Info

ID:

133007

PubChem CID:

51460996

Reduced:

SF3N4O4C16H18 (1)

Stoich.:

AB3C4D4E16F18 (1)

Weight, g/mol:

447.143035

ΔHf, kcal/mol:

-251.17

Dipole, Da:

8.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766375

Charge, e:

 0

Chem-info

IUPAC name:

(10S,11R,15R,16S)-16-acetyl-5-methoxy-13-(2-methyl-5-nitrophenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)[C@](N=C2[O-])(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations