Geometry & MOs

Info

ID:

119604

PubChem CID:

50692679

Reduced:

ClN5O5C34H44 (1)

Stoich.:

AB5C5D34E44 (1)

Weight, g/mol:

611.287447

ΔHf, kcal/mol:

-205.74

Dipole, Da:

4.95

IP(EA), eV:

 -9.19(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-6-methylphenyl]-1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl)C

DOS

IR

Vibrations