Geometry & MOs

Info

ID:	174839
PubChem CID:	75820428
Reduced:	ON2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	409.071431
ΔH_f, kcal/mol:	2.23
Dipole, Da:	4.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.854376
Charge, e:	1

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-(thiophen-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCC[NH+]2CC3=NC=C(O3)C(C)(C)C

DOS

IR

Vibrations