Geometry & MOs

Info

ID:

120209

PubChem CID:

50717826

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

660.259374

ΔHf, kcal/mol:

-198.14

Dipole, Da:

8.75

IP(EA), eV:

 -9.04(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-[4-chloro-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC=C3C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations