Geometry & MOs

Info

ID:

107831

PubChem CID:

50220243

Reduced:

FO5N6C41H53 (1)

Stoich.:

AB5C6D41E53 (1)

Weight, g/mol:

696.376597

ΔHf, kcal/mol:

-253.79

Dipole, Da:

7.62

IP(EA), eV:

 -8.79(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations