Geometry & MOs

Info

ID:

90782

PubChem CID:

49972010

Reduced:

FN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

706.385412

ΔHf, kcal/mol:

-293.79

Dipole, Da:

12.8

IP(EA), eV:

 -8.79(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C)F

DOS

IR

Vibrations