Geometry & MOs

Info

ID:

444715

PubChem CID:

135263321

Reduced:

O3N4C37H48 (1)

Stoich.:

A3B4C37D48 (1)

Weight, g/mol:

1104.501522

ΔHf, kcal/mol:

-105.38

Dipole, Da:

2.08

IP(EA), eV:

 -8.01(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl carbonochloridate;9H-fluoren-9-ylmethyl N-[4-[9H-fluoren-9-ylmethoxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=C(C=CC(=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C)N5CCCCC5

DOS

IR

Vibrations