Geometry & MOs

Info

ID:	245278
PubChem CID:	99443245
Reduced:	SO2N6C24H26 (1)
Stoich.:	AB2C6D24E26 (1)
Weight, g/mol:	409.076409
ΔH_f, kcal/mol:	53.51
Dipole, Da:	4.46
IP(EA), eV:	-8.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations