Geometry & MOs

Info

ID:

119951

PubChem CID:

50708411

Reduced:

Cl2O5N6C27H32 (1)

Stoich.:

A2B5C6D27E32 (1)

Weight, g/mol:

653.334397

ΔHf, kcal/mol:

-191.41

Dipole, Da:

8.03

IP(EA), eV:

 -9.12(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C(=O)N(C)C)Cl

DOS

IR

Vibrations