Geometry & MOs

Info

ID:	157200
PubChem CID:	56422389
Reduced:	ClON4S4H11C17 (1)
Stoich.:	ABC4D4E11F17 (1)
Weight, g/mol:	421.103103
ΔH_f, kcal/mol:	102.44
Dipole, Da:	3.34
IP(EA), eV:	-9.06(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(S2)Cl)C(=O)NC3=CC=CC=C3SC4=NN=CS4

DOS

IR

Vibrations