Geometry & MOs

Info

ID:	145622
PubChem CID:	53557595
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	333.045109
ΔH_f, kcal/mol:	35.15
Dipole, Da:	6.97
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CN2C=C(C(=N2)C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations