Geometry & MOs

Info

ID:	236742
PubChem CID:	92714615
Reduced:	O2S2N3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	295.044919
ΔH_f, kcal/mol:	-5.9
Dipole, Da:	1.82
IP(EA), eV:	-8.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)SC1=NN=C(S1)NC2=CC=CC=C2

DOS

IR

Vibrations