Geometry & MOs

Info

ID:	222513
PubChem CID:	85301149
Reduced:	SN2O6C16H20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	368.083078
ΔH_f, kcal/mol:	-225.48
Dipole, Da:	9.35
IP(EA), eV:	-8.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,11-dioxo-9-prop-2-ynyl-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1CN(C(=O)O1)C2=CC3=C(C=C2)N4CCCC4CO3

DOS

IR

Vibrations