Geometry & MOs

Info

ID:

111428

PubChem CID:

50366444

Reduced:

ClO5N6C40H55 (1)

Stoich.:

AB5C6D40E55 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-241.0

Dipole, Da:

7.57

IP(EA), eV:

 -8.79(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-carbamoyl-2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCCC5C

DOS

IR

Vibrations