Geometry & MOs

Info

ID:

114952

PubChem CID:

50503190

Reduced:

FCl2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-188.77

Dipole, Da:

7.11

IP(EA), eV:

 -8.95(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations