Geometry & MOs

Info

ID:

111456

PubChem CID:

50368585

Reduced:

N6O7C34H46 (1)

Stoich.:

A6B7C34D46 (1)

Weight, g/mol:

587.231075

ΔHf, kcal/mol:

-284.26

Dipole, Da:

7.49

IP(EA), eV:

 -8.96(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)OC)C(=O)N4CCOCC4

DOS

IR

Vibrations