Geometry & MOs

Info

ID:	228449
PubChem CID:	87564541
Reduced:	N3O5C15H24 (1)
Stoich.:	A3B5C15D24 (1)
Weight, g/mol:	297.081755
ΔH_f, kcal/mol:	-180.52
Dipole, Da:	5.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760685
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4R,6aR)-5,6a-dideuterio-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan-4-yl] (4-nitrophenyl) carbonate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/CC(C1CC1)NC(=O)OC(C)(C)C)\O)/[N+]#N

DOS

IR

Vibrations