Geometry & MOs

Info

ID:

110621

PubChem CID:

50332756

Reduced:

N6O6C43H54 (1)

Stoich.:

A6B6C43D54 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-219.19

Dipole, Da:

6.48

IP(EA), eV:

 -8.23(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluorobenzoyl)amino]-3-methylphenyl]-1-[1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=C(C=C6)OC)C)C

DOS

IR

Vibrations