Geometry & MOs

Info

ID:

170872

PubChem CID:

75289754

Reduced:

N5O10C31H47 (1)

Stoich.:

A5B10C31D47 (1)

Weight, g/mol:

703.394499

ΔHf, kcal/mol:

-404.43

Dipole, Da:

10.63

IP(EA), eV:

 -9.57(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[(2-cyclohexylacetyl)amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-(2-methyl-1-benzofuran-3-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC3(CC(=NO3)CCC(=O)OC)CN2C(=O)C(C(C)(C)C)NC(=O)OC4CCOC4

DOS

IR

Vibrations