Geometry & MOs

Info

ID:

102640

PubChem CID:

50068753

Reduced:

FN6O6C44H55 (1)

Stoich.:

AB6C6D44E55 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-283.21

Dipole, Da:

7.03

IP(EA), eV:

 -8.63(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamido-4-methylphenyl)-1-[1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)C)F)C

DOS

IR

Vibrations