Geometry & MOs

Info

ID:	209073
PubChem CID:	80619223
Reduced:	FOSN5H12C13 (1)
Stoich.:	ABCD5E12F13 (1)
Weight, g/mol:	311.049526
ΔH_f, kcal/mol:	11.17
Dipole, Da:	8.7
IP(EA), eV:	-9.29(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-butan-2-yloxyphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=NN=C(S1)C(=O)NC2=C(C(=CC=C2)F)C#N

DOS

IR

Vibrations