Geometry & MOs

Info

ID:	80670
PubChem CID:	49835829
Reduced:	SN3O7C29H35 (1)
Stoich.:	AB3C7D29E35 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-211.53
Dipole, Da:	11.09
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-phenylindazol-1-yl)oxolan-2-one

Drug info:

PubChemData

Smile

C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=C(C=C3)OC)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)[C@H](C)CO

DOS

IR

Vibrations