Geometry & MOs

Info

ID:	77719
PubChem CID:	49658741
Reduced:	OSN5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	407.141596
ΔH_f, kcal/mol:	90.73
Dipole, Da:	6.14
IP(EA), eV:	-8.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)triazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=C(N=N2)C3=NC(=CS3)C4=CC=CC=C4OC)N)C

DOS

IR

Vibrations