Geometry & MOs

Info

ID:

112882

PubChem CID:

50424260

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-230.17

Dipole, Da:

4.89

IP(EA), eV:

 -8.99(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-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=CC(=C3)C(=O)NC(C)C)Cl)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations