Geometry & MOs

Info

ID:

112856

PubChem CID:

50422746

Reduced:

FN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-266.09

Dipole, Da:

4.48

IP(EA), eV:

 -8.69(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F)C

DOS

IR

Vibrations