Geometry & MOs

Info

ID:

102717

PubChem CID:

50069298

Reduced:

FN3O3C18H21 (2)

Stoich.:

AB3C3D18E21 (2)

Weight, g/mol:

760.37599

ΔHf, kcal/mol:

-311.1

Dipole, Da:

12.22

IP(EA), eV:

 -8.46(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C)OC

DOS

IR

Vibrations