Geometry & MOs

Info

ID:	142022
PubChem CID:	52969493
Reduced:	ClSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-71.76
Dipole, Da:	9.79
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(C2C1N(C(=NC(=O)C3=CC(=O)C4=CC=CC=C4O3)S2)C)Cl

DOS

IR

Vibrations