Geometry & MOs

Info

ID:	77718
PubChem CID:	49658731
Reduced:	SO2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	377.131031
ΔH_f, kcal/mol:	66.83
Dipole, Da:	6.13
IP(EA), eV:	-8.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CSC(=N2)C3=C(N(N=N3)C4=CC(=CC=C4)OC)N

DOS

IR

Vibrations