Geometry & MOs

Info

ID:

97504

PubChem CID:

50032173

Reduced:

FO5N6C43H55 (1)

Stoich.:

AB5C6D43E55 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-255.82

Dipole, Da:

6.91

IP(EA), eV:

 -9.02(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(dimethylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C

DOS

IR

Vibrations