Geometry & MOs

Info

ID:	217053
PubChem CID:	85087166
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	327.067762
ΔH_f, kcal/mol:	-119.76
Dipole, Da:	4.0
IP(EA), eV:	-9.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,2-benzothiazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C2C3COC(=O)N3C4=CC=CC=C4N2C=N1

DOS

IR

Vibrations