Geometry & MOs

Info

ID:

110604

PubChem CID:

50332425

Reduced:

O4N5C35H41 (1)

Stoich.:

A4B5C35D41 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-127.87

Dipole, Da:

5.03

IP(EA), eV:

 -8.32(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations