Geometry & MOs

Info

ID:

85810

PubChem CID:

49879461

Reduced:

N2O3C23H24 (1)

Stoich.:

A2B3C23D24 (1)

Weight, g/mol:

460.076279

ΔHf, kcal/mol:

-82.8

Dipole, Da:

5.13

IP(EA), eV:

 -8.8(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1R,2R,9S,10S,11R,12R,16S)-9-(furan-2-yl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3C[C@@H]4C[C@H](C3)C5=CC=CC(=O)N5C4)C

DOS

IR

Vibrations