Geometry & MOs

Info

ID:	142025
PubChem CID:	52969496
Reduced:	SCl2N2O3H16C18 (1)
Stoich.:	AB2C2D3E16F18 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	3.19
IP(EA), eV:	-9.45(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(3,5,7-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2C(CC(CC2Cl)Cl)SC1=NC(=O)C3=CC4=CC=CC=C4OC3=O

DOS

IR

Vibrations