Geometry & MOs

Info

ID:

92767

PubChem CID:

49989493

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-225.27

Dipole, Da:

10.25

IP(EA), eV:

 -8.81(-0.75)

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-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations