Geometry & MOs

Info

ID:

100020

PubChem CID:

50057419

Reduced:

ClF2O5N6H35C37 (1)

Stoich.:

AB2C5D6E35F37 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-222.6

Dipole, Da:

4.15

IP(EA), eV:

 -8.83(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations