Geometry & MOs

Info

ID:	77720
PubChem CID:	49658742
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	383.060759
ΔH_f, kcal/mol:	52.86
Dipole, Da:	6.1
IP(EA), eV:	-8.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=C(N=N2)C3=NC(=CS3)C4=C(C=CC(=C4)OC)OC)N)C

DOS

IR

Vibrations