Geometry & MOs

Info

ID:	209008
PubChem CID:	80611269
Reduced:	ClS2O3N4H7C9 (1)
Stoich.:	AB2C3D4E7F9 (1)
Weight, g/mol:	261.033876
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	4.45
IP(EA), eV:	-10.02(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)SCC2=NN=C(S2)Cl)C(=O)O

DOS

IR

Vibrations