Geometry & MOs

Info

ID:

113852

PubChem CID:

50461310

Reduced:

FN3O3C21H23 (2)

Stoich.:

AB3C3D21E23 (2)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-284.25

Dipole, Da:

4.67

IP(EA), eV:

 -8.55(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations