Geometry & MOs

Info

ID:	162448
PubChem CID:	57394688
Reduced:	ClSN4O4C24H33 (1)
Stoich.:	ABC4D4E24F33 (1)
Weight, g/mol:	349.120861
ΔH_f, kcal/mol:	-157.9
Dipole, Da:	0.74
IP(EA), eV:	-8.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylpiperazin-1-yl)-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N3CCCC[C@@H](C3)N4CCCC4

DOS

IR

Vibrations