Geometry & MOs

Info

ID:	142011
PubChem CID:	52968390
Reduced:	SN2O6C20H24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	441.102828
ΔH_f, kcal/mol:	-218.14
Dipole, Da:	3.3
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations