Geometry & MOs

Info

ID:	241010
PubChem CID:	93621143
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	340.98336
ΔH_f, kcal/mol:	-157.72
Dipole, Da:	4.46
IP(EA), eV:	-9.65(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-bromo-4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)N2CCC[C@@H]2C(=O)O)C

DOS

IR

Vibrations