Geometry & MOs

Info

ID:

107440

PubChem CID:

50203246

Reduced:

Cl2F2O4N5C32H33 (1)

Stoich.:

A2B2C4D5E32F33 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-231.44

Dipole, Da:

11.34

IP(EA), eV:

 -9.07(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations