Geometry & MOs

Info

ID:	79689
PubChem CID:	49829990
Reduced:	NS2O5C19H30 (1)
Stoich.:	AB2C5D19E30 (1)
Weight, g/mol:	410.081067
ΔH_f, kcal/mol:	-198.45
Dipole, Da:	6.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754518
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[2-[[2-(4-methylbenzoyl)oxyphenyl]methylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH2+]C3CCCCCC3

DOS

IR

Vibrations