Geometry & MOs

Info

ID:	25843
PubChem CID:	631657
Reduced:	BrClOSH8C15 (1)
Stoich.:	ABCDE8F15 (1)
Weight, g/mol:	352.98336
ΔH_f, kcal/mol:	23.38
Dipole, Da:	3.45
IP(EA), eV:	-9.2(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-bromophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=O)C3=C(S2)C=CC(=C3)Br)Cl

DOS

IR

Vibrations