Geometry & MOs

Info

ID:

106285

PubChem CID:

50156068

Reduced:

ClO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-199.16

Dipole, Da:

7.05

IP(EA), eV:

 -8.77(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4C)Cl)C

DOS

IR

Vibrations