Geometry & MOs

Info

ID:	193287
PubChem CID:	78370408
Reduced:	ClFOSN7C20H21 (1)
Stoich.:	ABCDE7F20G21 (1)
Weight, g/mol:	448.04811
ΔH_f, kcal/mol:	34.77
Dipole, Da:	8.12
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)methylsulfanyl]-5-[5-(4-fluorophenyl)pyrazolidin-3-yl]-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3CC(NN3)C4=CC=C(C=C4)F

DOS

IR

Vibrations