Geometry & MOs

Info

ID:

98415

PubChem CID:

50043920

Reduced:

ClF2O5N6C31H31 (1)

Stoich.:

AB2C5D6E31F31 (1)

Weight, g/mol:

648.287175

ΔHf, kcal/mol:

-247.63

Dipole, Da:

9.59

IP(EA), eV:

 -8.96(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations