Geometry & MOs

Info

ID:

92860

PubChem CID:

49990196

Reduced:

N3O3C19H27 (2)

Stoich.:

A3B3C19D27 (2)

Weight, g/mol:

732.437447

ΔHf, kcal/mol:

-278.56

Dipole, Da:

8.66

IP(EA), eV:

 -8.11(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]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=CC(=C(C=C4)NC(=O)C(C)C)OC

DOS

IR

Vibrations