Geometry & MOs

Info

ID:

113477

PubChem CID:

50447495

Reduced:

F4O5N6C40H40 (1)

Stoich.:

A4B5C6D40E40 (1)

Weight, g/mol:

706.329039

ΔHf, kcal/mol:

-326.9

Dipole, Da:

4.22

IP(EA), eV:

 -9.03(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[5-(dimethylcarbamoyl)-2-methoxyanilino]-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=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations