Geometry & MOs

Info

ID:

99578

PubChem CID:

50051787

Reduced:

ClO3N4F5H26C29 (1)

Stoich.:

AB3C4D5E26F29 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-321.76

Dipole, Da:

6.99

IP(EA), eV:

 -9.03(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(dimethylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations