Geometry & MOs

Info

ID:

115406

PubChem CID:

50521886

Reduced:

Cl2O5N6C35H46 (1)

Stoich.:

A2B5C6D35E46 (1)

Weight, g/mol:

674.275024

ΔHf, kcal/mol:

-238.95

Dipole, Da:

6.87

IP(EA), eV:

 -9.03(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)Cl)Cl

DOS

IR

Vibrations