Geometry & MOs

Info

ID:

104496

PubChem CID:

50104415

Reduced:

ClF3O4N5C29H35 (1)

Stoich.:

AB3C4D5E29F35 (1)

Weight, g/mol:

620.255875

ΔHf, kcal/mol:

-327.15

Dipole, Da:

8.13

IP(EA), eV:

 -9.26(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations