Geometry & MOs

Info

ID:

110360

PubChem CID:

50322077

Reduced:

FO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-242.9

Dipole, Da:

3.81

IP(EA), eV:

 -8.72(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C(=O)N(C)C

DOS

IR

Vibrations