Geometry & MOs

Info

ID:

91662

PubChem CID:

49978070

Reduced:

N6O6C31H40 (1)

Stoich.:

A6B6C31D40 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-224.43

Dipole, Da:

6.54

IP(EA), eV:

 -9.06(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC

DOS

IR

Vibrations