Geometry & MOs

Info

ID:

114232

PubChem CID:

50474790

Reduced:

F3O5N6C35H39 (1)

Stoich.:

A3B5C6D35E39 (1)

Weight, g/mol:

732.268331

ΔHf, kcal/mol:

-310.81

Dipole, Da:

4.49

IP(EA), eV:

 -8.91(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F)F

DOS

IR

Vibrations