Geometry & MOs

Info

ID:

106407

PubChem CID:

50162314

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

722.355861

ΔHf, kcal/mol:

-220.76

Dipole, Da:

5.53

IP(EA), eV:

 -8.78(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C)C

DOS

IR

Vibrations