Geometry & MOs

Info

ID:

119278

PubChem CID:

50676558

Reduced:

ClO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

762.306324

ΔHf, kcal/mol:

-208.38

Dipole, Da:

4.14

IP(EA), eV:

 -8.22(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl)C

DOS

IR

Vibrations