Geometry & MOs

Info

ID:

118532

PubChem CID:

50645899

Reduced:

ClO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-180.44

Dipole, Da:

6.89

IP(EA), eV:

 -8.91(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations