Geometry & MOs

Info

ID:

110490

PubChem CID:

50326475

Reduced:

F3N5O5C30H38 (1)

Stoich.:

A3B5C5D30E38 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-348.48

Dipole, Da:

4.73

IP(EA), eV:

 -9.01(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3OC(F)(F)F)C(=O)N(C)C

DOS

IR

Vibrations