Geometry & MOs

Info

ID:	318607
PubChem CID:	126652236
Reduced:	N2O3C14H19 (2)
Stoich.:	A2B3C14D19 (2)
Weight, g/mol:	370.064173
ΔH_f, kcal/mol:	-173.97
Dipole, Da:	3.94
IP(EA), eV:	-9.58(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(7-chloro-2,3-dihydro-1H-inden-1-yl)sulfonyl]-3,6-dihydro-2H-pyran-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C(O[C@@H](C1N=[N+]=[N-])OCCCCCCNC(=O)OCC2=CC=CC=C2)COCC3=CC=CC=C3)O

DOS

IR

Vibrations