Geometry & MOs

Info

ID:

79455

PubChem CID:

49754932

Reduced:

SN2O3C14H15 (2)

Stoich.:

AB2C3D14E15 (2)

Weight, g/mol:

476.20597

ΔHf, kcal/mol:

-175.07

Dipole, Da:

6.96

IP(EA), eV:

 -8.52(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phenyl 4-[[[2-oxo-2-[(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)amino]acetyl]amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)C(=O)NCC3CCN(CC3)C(=O)OC4=CC=CC=C4)N(C1)S(=O)(=O)C5=CC=CS5

DOS

IR

Vibrations