Geometry & MOs

Info

ID:	141998
PubChem CID:	52965972
Reduced:	S2N3O4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	387.088892
ΔH_f, kcal/mol:	-43.98
Dipole, Da:	10.9
IP(EA), eV:	-9.08(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1CCC2C(C1)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2C

DOS

IR

Vibrations