Geometry & MOs

Info

ID:	56023
PubChem CID:	17403817
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	381.030926
ΔH_f, kcal/mol:	-70.75
Dipole, Da:	3.01
IP(EA), eV:	-8.52(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations