Geometry & MOs

Info

ID:	142032
PubChem CID:	52970376
Reduced:	S2N3O4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	414.108328
ΔH_f, kcal/mol:	-111.42
Dipole, Da:	4.47
IP(EA), eV:	-8.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide

Drug info:

PubChemData

Smile

CCOCCN1C2CC(C(CC2SC1=NC(=O)C3=CC4=C(C=C3)N=CS4)OC)OC

DOS

IR

Vibrations