Geometry & MOs

Info

ID:

107129

PubChem CID:

50191027

Reduced:

ClF2O4N5H34C36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

577.250061

ΔHf, kcal/mol:

-186.26

Dipole, Da:

11.16

IP(EA), eV:

 -8.7(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations