Geometry & MOs

Info

ID:

116976

PubChem CID:

50583149

Reduced:

ClO5N6C30H37 (1)

Stoich.:

AB5C6D30E37 (1)

Weight, g/mol:

728.321974

ΔHf, kcal/mol:

-201.2

Dipole, Da:

9.11

IP(EA), eV:

 -8.89(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations