Geometry & MOs

Info

ID:	32175
PubChem CID:	6435752
Reduced:	N2O7C30H40 (1)
Stoich.:	A2B7C30D40 (1)
Weight, g/mol:	448.025974
ΔH_f, kcal/mol:	-282.62
Dipole, Da:	2.48
IP(EA), eV:	-8.0(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]oxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC4CCC(CC4)OC)C5=C2C1=CC=C5.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations