Geometry & MOs

Info

ID:

93669

PubChem CID:

49995960

Reduced:

ClO5N6C39H55 (1)

Stoich.:

AB5C6D39E55 (1)

Weight, g/mol:

748.407897

ΔHf, kcal/mol:

-260.36

Dipole, Da:

3.99

IP(EA), eV:

 -8.69(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C)Cl

DOS

IR

Vibrations