Geometry & MOs

Info

ID:

310145

PubChem CID:

126575383

Reduced:

O2C13H15 (2)

Stoich.:

A2B13C15 (2)

Weight, g/mol:

1053.463641

ΔHf, kcal/mol:

-131.56

Dipole, Da:

4.46

IP(EA), eV:

 -8.49(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-[4-[(6aS)-3-[3-[[(6aS)-8-cyclopropyl-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC2=C(C3=CC=CCC3C(C2C1)C4=CC(CC(=C4)O)O)C5=CC(=CC(C5)O)O

DOS

IR

Vibrations