Geometry & MOs

Info

ID:	196359
PubChem CID:	78815038
Reduced:	ClSN4O4H17C20 (1)
Stoich.:	ABC4D4E17F20 (1)
Weight, g/mol:	406.134258
ΔH_f, kcal/mol:	-62.74
Dipole, Da:	4.15
IP(EA), eV:	-9.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

CN1C(=CN=C1CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4)Cl

DOS

IR

Vibrations