Geometry & MOs

Info

ID:	178237
PubChem CID:	76300319
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	450.103162
ΔH_f, kcal/mol:	-48.09
Dipole, Da:	7.9
IP(EA), eV:	-8.69(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[4-(propylsulfonylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CCOC1CCCN(C1)C(=O)C=CC2=C(N(N=C2C)CC3=CC=C(C=C3)C)C

DOS

IR

Vibrations