Geometry & MOs

Info

ID:

106800

PubChem CID:

50176837

Reduced:

FN6O7C39H47 (1)

Stoich.:

AB6C7D39E47 (1)

Weight, g/mol:

702.410483

ΔHf, kcal/mol:

-296.29

Dipole, Da:

11.66

IP(EA), eV:

 -8.55(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)OC

DOS

IR

Vibrations