Geometry & MOs

Info

ID:

297516

PubChem CID:

117619462

Reduced:

F7O8C22H23 (1)

Stoich.:

A7B8C22D23 (1)

Weight, g/mol:

1116.484436

ΔHf, kcal/mol:

-673.52

Dipole, Da:

1.6

IP(EA), eV:

 -9.45(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[3-[[3,5-bis[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(=O)C(C)(C)OC(=O)COCC(OC(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations