Geometry & MOs

Info

ID:

117351

PubChem CID:

50599644

Reduced:

ClFO4N5C29H29 (1)

Stoich.:

ABC4D5E29F29 (1)

Weight, g/mol:

736.315139

ΔHf, kcal/mol:

-166.31

Dipole, Da:

9.66

IP(EA), eV:

 -8.9(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl)F

DOS

IR

Vibrations