Geometry & MOs

Info

ID:

328608

PubChem CID:

126725948

Reduced:

N3O8C44H59 (1)

Stoich.:

A3B8C44D59 (1)

Weight, g/mol:

796.441115

ΔHf, kcal/mol:

-368.63

Dipole, Da:

2.11

IP(EA), eV:

 -8.83(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[4-[2-(7-amino-9H-fluoren-2-yl)ethynyl]-6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyridin-2-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(CC1=CC(=CC(=N1)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C2=CC3=C(CC4=CC=CC=C43)C=C2)CC(=O)OC(C)(C)C

DOS

IR

Vibrations