Geometry & MOs

Info

ID:

114819

PubChem CID:

50497540

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-227.74

Dipole, Da:

13.86

IP(EA), eV:

 -9.07(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCCC4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations