Geometry & MOs

Info

ID:

112940

PubChem CID:

50426411

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-230.25

Dipole, Da:

3.68

IP(EA), eV:

 -8.97(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC(C)C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations