Geometry & MOs

Info

ID:	209093
PubChem CID:	80623175
Reduced:	BrNSC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	238.06368
ΔH_f, kcal/mol:	6.8
Dipole, Da:	1.22
IP(EA), eV:	-8.63(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(SC1)C(CC2=CC=CC=C2Br)N

DOS

IR

Vibrations