Geometry & MOs

Info

ID:

98273

PubChem CID:

50042166

Reduced:

ClO5N6C40H41 (1)

Stoich.:

AB5C6D40E41 (1)

Weight, g/mol:

746.36034

ΔHf, kcal/mol:

-139.38

Dipole, Da:

6.4

IP(EA), eV:

 -8.74(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-1-oxopropan-2-yl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NC6=CC=CC=C6)Cl

DOS

IR

Vibrations