Geometry & MOs

Info

ID:

109904

PubChem CID:

50301416

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-247.96

Dipole, Da:

7.21

IP(EA), eV:

 -8.69(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-1-oxopropan-2-yl]-1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCCC5)C)F

DOS

IR

Vibrations