Geometry & MOs

Info

ID:

92471

PubChem CID:

49986812

Reduced:

F3O4N5C33H42 (1)

Stoich.:

A3B4C5D33E42 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-310.14

Dipole, Da:

7.85

IP(EA), eV:

 -8.82(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-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)C)C(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations