Geometry & MOs

Info

ID:	161546
PubChem CID:	57391953
Reduced:	ClFO4N7C26H27 (1)
Stoich.:	ABC4D7E26F27 (1)
Weight, g/mol:	375.89763
ΔH_f, kcal/mol:	-124.91
Dipole, Da:	7.43
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(2,3-dichlorophenyl)-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CC1(C[C@@H](C(=O)NC2=C1C=CC(=C2)NC3=NC=C(C(=N3)NC4=C(C=CC=C4F)C(=O)NC)Cl)NC(=O)OC)C

DOS

IR

Vibrations