Geometry & MOs

Info

ID:	142009
PubChem CID:	52968374
Reduced:	S2N3O7C26H37 (1)
Stoich.:	A2B3C7D26E37 (1)
Weight, g/mol:	468.03546
ΔH_f, kcal/mol:	-285.69
Dipole, Da:	10.94
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromobenzoyl)imino-3-(2-methoxy-2-oxoethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3CCC(CC3S2)C(=O)OCC)CC(=O)OC

DOS

IR

Vibrations