Geometry & MOs

Info

ID:	353573
PubChem CID:	127285150
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	2.79
IP(EA), eV:	-9.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]propyl]-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)CCNC(=O)C3=CSC=C3

DOS

IR

Vibrations