Geometry & MOs

Info

ID:

311172

PubChem CID:

126589712

Reduced:

FN2O4C25H25 (1)

Stoich.:

AB2C4D25E25 (1)

Weight, g/mol:

770.331564

ΔHf, kcal/mol:

-64.36

Dipole, Da:

10.05

IP(EA), eV:

 -9.17(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(12aS)-9-[5-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]pentoxy]-8-methoxy-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-11-yl]hexane-1,4-dione

Drug info:

PubChemData

Smile

CC[C@@](C=O)(C1=C(C(=O)N2CC3=C4CCCCC5=C4C(=CC(=C5C)F)N=C3C2=C1)CO)O

DOS

IR

Vibrations