Geometry & MOs

Info

ID:

116545

PubChem CID:

50565241

Reduced:

ClN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

688.290674

ΔHf, kcal/mol:

-207.8

Dipole, Da:

6.31

IP(EA), eV:

 -8.66(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-chloro-2-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4OC)Cl

DOS

IR

Vibrations