Geometry & MOs

Info

ID:

100437

PubChem CID:

50061449

Reduced:

ClO4F5N5C35H35 (1)

Stoich.:

AB4C5D5E35F35 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-376.11

Dipole, Da:

5.12

IP(EA), eV:

 -9.04(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]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)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl

DOS

IR

Vibrations