Geometry & MOs

Info

ID:

99871

PubChem CID:

50055801

Reduced:

FN3O3C21H23 (2)

Stoich.:

AB3C3D21E23 (2)

Weight, g/mol:

768.34469

ΔHf, kcal/mol:

-277.7

Dipole, Da:

6.87

IP(EA), eV:

 -8.49(-0.81)

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-[(2-methoxybenzoyl)amino]-4-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)C)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations