Geometry & MOs

Info

ID:

91332

PubChem CID:

49975175

Reduced:

ClN6O6C35H39 (1)

Stoich.:

AB6C6D35E39 (1)

Weight, g/mol:

564.269633

ΔHf, kcal/mol:

-202.2

Dipole, Da:

6.22

IP(EA), eV:

 -8.87(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoylanilino)-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(=CC=C4)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations