Geometry & MOs

Info

ID:	77723
PubChem CID:	49658748
Reduced:	ClSO2N5H16C19 (1)
Stoich.:	ABC2D5E16F19 (1)
Weight, g/mol:	443.081888
ΔH_f, kcal/mol:	62.37
Dipole, Da:	3.81
IP(EA), eV:	-8.24(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations