Geometry & MOs

Info

ID:

100852

PubChem CID:

50064104

Reduced:

FO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-214.52

Dipole, Da:

6.83

IP(EA), eV:

 -9.02(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)C

DOS

IR

Vibrations