Geometry & MOs

Info

ID:

108602

PubChem CID:

50251424

Reduced:

ClF2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-234.95

Dipole, Da:

8.65

IP(EA), eV:

 -8.64(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C)Cl

DOS

IR

Vibrations