Geometry & MOs

Info

ID:

91353

PubChem CID:

49975242

Reduced:

N3O3C17H22 (2)

Stoich.:

A3B3C17D22 (2)

Weight, g/mol:

598.230661

ΔHf, kcal/mol:

-230.74

Dipole, Da:

10.8

IP(EA), eV:

 -8.98(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-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)NCC(=O)NC4=CC=C(C=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations