Geometry & MOs

Info

ID:

109090

PubChem CID:

50272006

Reduced:

FO5N6C41H43 (1)

Stoich.:

AB5C6D41E43 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-189.59

Dipole, Da:

12.85

IP(EA), eV:

 -8.32(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations