Geometry & MOs

Info

ID:

91427

PubChem CID:

49975862

Reduced:

N6O7C38H46 (1)

Stoich.:

A6B7C38D46 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-249.92

Dipole, Da:

10.65

IP(EA), eV:

 -8.36(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C

DOS

IR

Vibrations