Geometry & MOs

Info

ID:	426855
PubChem CID:	135154180
Reduced:	ClSN3O4C25H26 (1)
Stoich.:	ABC3D4E25F26 (1)
Weight, g/mol:	386.928144
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	3.68
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-4-(trifluoromethylsulfanylmethyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)N3CCOCC3C4=CC=CC=C4Cl

DOS

IR

Vibrations