Geometry & MOs

Info

ID:

111913

PubChem CID:

50386223

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-244.1

Dipole, Da:

8.99

IP(EA), eV:

 -8.69(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N)OC)C

DOS

IR

Vibrations