Geometry & MOs

Info

ID:	67281
PubChem CID:	46506198
Reduced:	S2N5O7C30H41 (1)
Stoich.:	A2B5C7D30E41 (1)
Weight, g/mol:	350.998363
ΔH_f, kcal/mol:	-216.47
Dipole, Da:	7.68
IP(EA), eV:	-8.15(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-nitrophenyl)-2-oxo-3H-1,3-benzothiazole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)CC5=C(C(=C(C=C5)OC)OC)OC)C)C

DOS

IR

Vibrations