Geometry & MOs

Info

ID:

119530

PubChem CID:

50689214

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

758.355861

ΔHf, kcal/mol:

-221.17

Dipole, Da:

4.47

IP(EA), eV:

 -8.96(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[3-methoxy-4-[(2-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations