Geometry & MOs

Info

ID:

114791

PubChem CID:

50497062

Reduced:

FO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-222.09

Dipole, Da:

7.17

IP(EA), eV:

 -8.87(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-benzamido-3-methoxyanilino)-3-oxopropyl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)NC(=O)C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations