Geometry & MOs

Info

ID:

112740

PubChem CID:

50417529

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-268.87

Dipole, Da:

3.72

IP(EA), eV:

 -8.9(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(diethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations