Geometry & MOs

Info

ID:

100188

PubChem CID:

50059096

Reduced:

F2N5O5C34H39 (1)

Stoich.:

A2B5C5D34E39 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-254.7

Dipole, Da:

8.93

IP(EA), eV:

 -8.49(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]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)NC(C(C)C)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations