Geometry & MOs

Info

ID:	220616
PubChem CID:	85198054
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-134.83
Dipole, Da:	11.89
IP(EA), eV:	-8.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzothiazol-3-yl)-N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=CC=C2C(=O)NC(=O)NC2=O)C3=CC=CC=C3)CO

DOS

IR

Vibrations