Geometry & MOs

Info

ID:

104259

PubChem CID:

50100128

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-216.02

Dipole, Da:

1.23

IP(EA), eV:

 -8.52(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations