Geometry & MOs

Info

ID:	142007
PubChem CID:	52968320
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	511.144693
ΔH_f, kcal/mol:	-140.6
Dipole, Da:	2.79
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(dimethylsulfamoyl)benzoyl]imino-3-(2-methoxy-2-oxoethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2C(C1)SC(=NC(=O)C3=CC=C(C=C3)OC)N2CC(=O)OC

DOS

IR

Vibrations