Geometry & MOs

Info

ID:

97163

PubChem CID:

50028296

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-176.77

Dipole, Da:

8.11

IP(EA), eV:

 -9.11(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations