Geometry & MOs

Info

ID:

110999

PubChem CID:

50347755

Reduced:

N5O5C32H41 (1)

Stoich.:

A5B5C32D41 (1)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-187.12

Dipole, Da:

11.08

IP(EA), eV:

 -8.6(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-methoxybenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations