Geometry & MOs

Info

ID:	156725
PubChem CID:	56371920
Reduced:	S2N3O4C21H23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	395.082744
ΔH_f, kcal/mol:	-115.62
Dipole, Da:	7.89
IP(EA), eV:	-8.35(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dioxo-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-1H-2lambda6,3-benzothiazin-4-one

Drug info:

PubChemData

Smile

C1CSCCN1CC2=CC(=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4CS3(=O)=O

DOS

IR

Vibrations