Geometry & MOs

Info

ID:	142012
PubChem CID:	52968538
Reduced:	S2N3O6C18H23 (1)
Stoich.:	A2B3C6D18E23 (1)
Weight, g/mol:	443.064334
ΔH_f, kcal/mol:	-203.14
Dipole, Da:	8.61
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-sulfamoyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N=C2N(C3CCC(CC3S2)S(=O)(=O)N)CC(=O)OC

DOS

IR

Vibrations