Geometry & MOs

Info

ID:	217476
PubChem CID:	85087877
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-3.61
Dipole, Da:	3.14
IP(EA), eV:	-9.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-3-(4-nitrophenoxy)-2-prop-1-en-2-yl-13-oxabicyclo[8.2.1]tridec-11-en-4-yne

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(C(=O)N=C1C2CC2)C3=CSC(=N3)C4=CC=NC=C4

DOS

IR

Vibrations