Geometry & MOs

Info

ID:

113511

PubChem CID:

50449244

Reduced:

ClF2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-220.77

Dipole, Da:

5.57

IP(EA), eV:

 -8.87(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-fluoro-3-(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)NC(=O)C)Cl)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations