Geometry & MOs

Info

ID:	82984
PubChem CID:	49856934
Reduced:	N2O7C26H36 (1)
Stoich.:	A2B7C26D36 (1)
Weight, g/mol:	600.377452
ΔH_f, kcal/mol:	-304.89
Dipole, Da:	5.29
IP(EA), eV:	-9.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,10R)-9-(dibutylcarbamoyloxy)-2-ethyl-8,8-dimethyl-4-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] N,N-dibutylcarbamate

Drug info:

PubChemData

Smile

CCC1=CC(=O)C2=C(O1)C3=C(C=C2)OC([C@@H]([C@@H]3OC(=O)N(CC)CC)OC(=O)N(CC)CC)(C)C

DOS

IR

Vibrations