Geometry & MOs

Info

ID:

181480

PubChem CID:

76749563

Reduced:

N6O10C39H52 (1)

Stoich.:

A6B10C39D52 (1)

Weight, g/mol:

725.388745

ΔHf, kcal/mol:

-411.0

Dipole, Da:

4.04

IP(EA), eV:

 -9.1(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl 4-[8-[8-[(2-amino-2-oxo-1-phenylethyl)amino]-4,5,8-trioxo-3-propyloctanoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-cyclohexyl-4-oxobutanoate

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC(=CC(=C1)OC)OC)C(=O)N)NC(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)CC4=CC=CC=C4)O

DOS

IR

Vibrations