Geometry & MOs

Info

ID:

92925

PubChem CID:

49990542

Reduced:

ClO5N6C41H57 (1)

Stoich.:

AB5C6D41E57 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-254.09

Dipole, Da:

6.82

IP(EA), eV:

 -8.83(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations