Geometry & MOs

Info

ID:	43569
PubChem CID:	10321482
Reduced:	NO6C26H27 (1)
Stoich.:	AB6C26D27 (1)
Weight, g/mol:	449.071528
ΔH_f, kcal/mol:	-142.88
Dipole, Da:	2.88
IP(EA), eV:	-9.18(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,2,5-thiadiazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC2=CC(=C(C(=C2)C(C)C)O)C3=CC=C(C=C3)[N+](=O)[O-])C)OCC(=O)O

DOS

IR

Vibrations