Geometry & MOs

Info

ID:

108011

PubChem CID:

50226611

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

694.309053

ΔHf, kcal/mol:

-218.88

Dipole, Da:

5.51

IP(EA), eV:

 -9.02(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-fluoro-3-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations