Geometry & MOs

Info

ID:

106774

PubChem CID:

50176000

Reduced:

ClO5N6C36H47 (1)

Stoich.:

AB5C6D36E47 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-225.48

Dipole, Da:

6.71

IP(EA), eV:

 -9.05(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations