Geometry & MOs

Info

ID:

182148

PubChem CID:

76853406

Reduced:

O4C21H32 (1)

Stoich.:

A4B21C32 (1)

Weight, g/mol:

883.445489

ΔHf, kcal/mol:

-208.24

Dipole, Da:

2.54

IP(EA), eV:

 -9.27(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S)-1-[(6S)-6-[3-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]propyl]-1,4-dibenzyl-5-oxopiperazin-2-yl]-2-phenylethyl]-3-benzylurea

Drug info:

PubChemData

Smile

CCCCOC(=O)C(CC)OC(=O)C(C)C1=CC=C(C=C1)CC(C)C

DOS

IR

Vibrations