Geometry & MOs

Info

ID:

111518

PubChem CID:

50370789

Reduced:

N5O5C33H43 (1)

Stoich.:

A5B5C33D43 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-194.88

Dipole, Da:

7.89

IP(EA), eV:

 -9.08(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations