Geometry & MOs

Info

ID:

116746

PubChem CID:

50573796

Reduced:

Cl2O5N6C31H38 (1)

Stoich.:

A2B5C6D31E38 (1)

Weight, g/mol:

716.285589

ΔHf, kcal/mol:

-209.05

Dipole, Da:

9.96

IP(EA), eV:

 -8.8(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-chloro-2-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations