Geometry & MOs

Info

ID:	131039
PubChem CID:	51148569
Reduced:	ClSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	-56.5
Dipole, Da:	8.5
IP(EA), eV:	-9.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations