Geometry & MOs

Info

ID:

433220

PubChem CID:

135173357

Reduced:

SN2F3O3C22H25 (1)

Stoich.:

AB2C3D3E22F25 (1)

Weight, g/mol:

603.273321

ΔHf, kcal/mol:

-218.43

Dipole, Da:

4.77

IP(EA), eV:

 -8.57(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6aS)-3-[5-(5-hydroxy-1-methyl-1,2-dihydrobenzo[e]indol-3-yl)-4-methyl-5-oxopentan-2-yl]oxy-2-methoxy-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-14-one

Drug info:

PubChemData

Smile

CSN1CCC(CC1)COC2=COC(=CC2=O)CN3CC4=C(C3)C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations