Geometry & MOs

Info

ID:	323065
PubChem CID:	126672014
Reduced:	ClS3O6N9C48H58 (1)
Stoich.:	AB3C6D9E48F58 (1)
Weight, g/mol:	234.046299
ΔH_f, kcal/mol:	-153.87
Dipole, Da:	12.26
IP(EA), eV:	-9.02(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-methyl-1,3,4-thiadiazole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCSCCCOCC(=O)N[C@H](C(=O)N4CC(C[C@H]4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C

DOS

IR

Vibrations