Geometry & MOs

Info

ID:

100092

PubChem CID:

50058121

Reduced:

F4O5N6C42H42 (1)

Stoich.:

A4B5C6D42E42 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-314.19

Dipole, Da:

6.11

IP(EA), eV:

 -9.07(-0.65)

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-oxo-1-[3-(propan-2-ylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations