Geometry & MOs

Info

ID:	223369
PubChem CID:	85334924
Reduced:	N2O2S2C11H12 (1)
Stoich.:	A2B2C2D11E12 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	6.78
IP(EA), eV:	-9.08(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-prop-2-ynoxyimino-3-pyridin-3-ylpropyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=O)N(C2=O)CC(CS)S)C=C1

DOS

IR

Vibrations