Geometry & MOs

Info

ID:	209068
PubChem CID:	80619026
Reduced:	ClOSN4C12H17 (1)
Stoich.:	ABCD4E12F17 (1)
Weight, g/mol:	263.049526
ΔH_f, kcal/mol:	9.09
Dipole, Da:	3.25
IP(EA), eV:	-8.98(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)C(=O)C3=NN=C(S3)Cl

DOS

IR

Vibrations