Geometry & MOs

Info

ID:

112805

PubChem CID:

50420967

Reduced:

ClF2O4N5C30H30 (1)

Stoich.:

AB2C4D5E30F30 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-210.24

Dipole, Da:

1.38

IP(EA), eV:

 -9.2(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations