Geometry & MOs

Info

ID:

117395

PubChem CID:

50601526

Reduced:

ClN6O6C43H49 (1)

Stoich.:

AB6C6D43E49 (1)

Weight, g/mol:

780.340211

ΔHf, kcal/mol:

-203.63

Dipole, Da:

3.97

IP(EA), eV:

 -8.67(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-methoxybenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C)Cl

DOS

IR

Vibrations