Geometry & MOs

Info

ID:

110025

PubChem CID:

50306229

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-259.39

Dipole, Da:

8.26

IP(EA), eV:

 -8.7(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylbutanoylamino)phenyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F)C(=O)N(C)C

DOS

IR

Vibrations