Geometry & MOs

Info

ID:	56497
PubChem CID:	17435944
Reduced:	ClON5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	395.087453
ΔH_f, kcal/mol:	19.09
Dipole, Da:	1.85
IP(EA), eV:	-9.01(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CN(CC1=NN=C2N1CCC2)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations