Geometry & MOs

Info

ID:	142014
PubChem CID:	52968576
Reduced:	S2N3O7C19H23 (1)
Stoich.:	A2B3C7D19E23 (1)
Weight, g/mol:	461.107913
ΔH_f, kcal/mol:	-249.22
Dipole, Da:	7.29
IP(EA), eV:	-9.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(naphthalene-2-carbonylimino)-6-sulfamoyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)CN1C2CCC(CC2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC)S(=O)(=O)N

DOS

IR

Vibrations