Geometry & MOs

Info

ID:

102612

PubChem CID:

50068685

Reduced:

ClF2O4N5C36H40 (1)

Stoich.:

AB2C4D5E36F40 (1)

Weight, g/mol:

653.258039

ΔHf, kcal/mol:

-236.3

Dipole, Da:

5.41

IP(EA), eV:

 -9.1(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations