Geometry & MOs

Info

ID:

173711

PubChem CID:

75672637

Reduced:

O2F3N4C21H26 (1)

Stoich.:

A2B3C4D21E26 (1)

Weight, g/mol:

353.061632

ΔHf, kcal/mol:

-187.98

Dipole, Da:

4.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.813424

Charge, e:

 0

Chem-info

IUPAC name:

N'-(1,3-benzothiazol-2-yl)-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetohydrazide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2CC3=C(CN2CC4=CC(=CC=C4)OC(F)(F)F)N=C[NH2+]3

DOS

IR

Vibrations