Geometry & MOs

Info

ID:

190547

PubChem CID:

78019516

Reduced:

N7O7C40H55 (1)

Stoich.:

A7B7C40D55 (1)

Weight, g/mol:

694.405398

ΔHf, kcal/mol:

-283.52

Dipole, Da:

5.52

IP(EA), eV:

 -9.44(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[[2-[(3-acetyl-4,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoyl]amino]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-9,9-dimethyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodecane-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC3CCCC4C3N2C(=O)C(C4(C)C)NC(=O)C(C5CCCCC5)NC(=O)C6=C(C(=C(N6)C)C(=O)C)C#N

DOS

IR

Vibrations