Geometry & MOs

Info

ID:	69401
PubChem CID:	47169922
Reduced:	SN2O5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	326.96771
ΔH_f, kcal/mol:	-168.91
Dipole, Da:	7.72
IP(EA), eV:	-9.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NNC(=O)C2CCS(=O)(=O)C2

DOS

IR

Vibrations