Geometry & MOs

Info

ID:

116542

PubChem CID:

50564955

Reduced:

ClO3N4C29H37 (1)

Stoich.:

AB3C4D29E37 (1)

Weight, g/mol:

702.306324

ΔHf, kcal/mol:

-126.86

Dipole, Da:

7.87

IP(EA), eV:

 -8.54(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C)C)Cl

DOS

IR

Vibrations