Geometry & MOs

Info

ID:

93679

PubChem CID:

49996002

Reduced:

ClO5N6C39H55 (1)

Stoich.:

AB5C6D39E55 (1)

Weight, g/mol:

708.376597

ΔHf, kcal/mol:

-256.6

Dipole, Da:

5.72

IP(EA), eV:

 -8.87(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylpropanoylamino)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=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations