Geometry & MOs

Info

ID:	142017
PubChem CID:	52968719
Reduced:	BrSN2O4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	471.146407
ΔH_f, kcal/mol:	-139.05
Dipole, Da:	4.45
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-acetamido-2-(2-oxochromene-3-carbonyl)imino-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC1CCC2C(C1)SC(=NC(=O)C3=CC=CC=C3Br)N2CC(=O)OC

DOS

IR

Vibrations