Geometry & MOs

Info

ID:

118538

PubChem CID:

50646252

Reduced:

ClO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

702.306324

ΔHf, kcal/mol:

-241.56

Dipole, Da:

5.92

IP(EA), eV:

 -8.8(-0.6)

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-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)Cl)C

DOS

IR

Vibrations