Geometry & MOs

Info

ID:	82982
PubChem CID:	49856929
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	432.189651
ΔH_f, kcal/mol:	-4.16
Dipole, Da:	6.66
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC2[C@H]3[C@@H]2CN(C3)C4=NC=C(C=N4)C(=O)NO

DOS

IR

Vibrations