Geometry & MOs

Info

ID:

116418

PubChem CID:

50559712

Reduced:

ClO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

619.15609

ΔHf, kcal/mol:

-239.95

Dipole, Da:

11.48

IP(EA), eV:

 -8.89(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NC(C)C)Cl

DOS

IR

Vibrations