Geometry & MOs

Info

ID:

437011

PubChem CID:

135213723

Reduced:

SO7N9C17H24 (1)

Stoich.:

AB7C9D17E24 (1)

Weight, g/mol:

507.244146

ΔHf, kcal/mol:

-128.97

Dipole, Da:

10.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765317

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl N-[(1R,7S)-7-(dimethylcarbamoyl)-5-methyl-9-oxo-10-prop-2-enoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C3CN(C2C(=O)N(C)C)C(=O)N3OS(=O)(=O)O)C(=N1)C(=O)NC4=C(N([N+](=C4)C)C)N

DOS

IR

Vibrations