Geometry & MOs

Info

ID:

181478

PubChem CID:

76749110

Reduced:

Cl2N3O6C27H39 (1)

Stoich.:

A2B3C6D27E39 (1)

Weight, g/mol:

579.330836

ΔHf, kcal/mol:

-269.05

Dipole, Da:

2.19

IP(EA), eV:

 -9.68(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methylbutan-2-yl N-[2-[2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC3C(C2C(=O)CC(CC4CC4)C(=O)C(=O)N)C3(Cl)Cl

DOS

IR

Vibrations