Geometry & MOs

Info

ID:	28058
PubChem CID:	825359
Reduced:	BrOSN3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	215.072848
ΔH_f, kcal/mol:	31.58
Dipole, Da:	6.12
IP(EA), eV:	-9.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(5-propyl-1,3,4-thiadiazol-2-yl)carbamate

Drug info:

PubChemData

Smile

CCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations