Geometry & MOs

Info

ID:

108338

PubChem CID:

50242093

Reduced:

ClFO5N6C39H48 (1)

Stoich.:

ABC5D6E39F48 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-254.43

Dipole, Da:

7.77

IP(EA), eV:

 -8.7(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-benzamido-2-fluoroanilino)-3-oxopropyl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations