Geometry & MOs

Info

ID:

120355

PubChem CID:

50723981

Reduced:

ClO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

746.355861

ΔHf, kcal/mol:

-134.05

Dipole, Da:

5.41

IP(EA), eV:

 -8.52(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)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=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl)C

DOS

IR

Vibrations