Geometry & MOs

Info

ID:	77722
PubChem CID:	49658746
Reduced:	ClOSN5H14C18 (1)
Stoich.:	ABCD5E14F18 (1)
Weight, g/mol:	413.071324
ΔH_f, kcal/mol:	99.04
Dipole, Da:	4.18
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-5-[4-(2,5-dimethoxyphenyl)-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)Cl)N

DOS

IR

Vibrations