Geometry & MOs

Info

ID:	236741
PubChem CID:	92714614
Reduced:	SN3O5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	295.044919
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	4.23
IP(EA), eV:	-9.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N[C@H]1CCCC2=CC=CC=C12)S(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations