Geometry & MOs

Info

ID:

94251

PubChem CID:

49999287

Reduced:

ClO5N6C40H57 (1)

Stoich.:

AB5C6D40E57 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-252.75

Dipole, Da:

10.84

IP(EA), eV:

 -9.07(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations