Geometry & MOs

Info

ID:

94367

PubChem CID:

50000261

Reduced:

FO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-288.84

Dipole, Da:

6.33

IP(EA), eV:

 -8.7(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations