Geometry & MOs

Info

ID:

106719

PubChem CID:

50173723

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

577.32642

ΔHf, kcal/mol:

-235.2

Dipole, Da:

11.1

IP(EA), eV:

 -9.01(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methylphenyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCCCC5)Cl)C

DOS

IR

Vibrations