Geometry & MOs

Info

ID:	171450
PubChem CID:	75378910
Reduced:	ClOSF2N4H9C11 (1)
Stoich.:	ABCD2E4F9G11 (1)
Weight, g/mol:	325.990821
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	4.21
IP(EA), eV:	-8.59(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C(=C1)NCC2=C(SN=N2)Cl)F)F

DOS

IR

Vibrations