Geometry & MOs

Info

ID:	234579
PubChem CID:	92303105
Reduced:	SN2O5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	316.026626
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	3.67
IP(EA), eV:	-9.28(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-3-methyl-7-[(2-nitrophenyl)methylidene]imidazo[2,1-b][1,3,4]thiadiazine-2,6-dione

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/SC1=O

DOS

IR

Vibrations