Geometry & MOs

Info

ID:	78090
PubChem CID:	49681654
Reduced:	S2N3O5C24H25 (1)
Stoich.:	A2B3C5D24E25 (1)
Weight, g/mol:	485.107913
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	5.28
IP(EA), eV:	-9.24(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)S2)CC#C

DOS

IR

Vibrations