Geometry & MOs

Info

ID:	24834
PubChem CID:	613861
Reduced:	SCl2N5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	339.011222
ΔH_f, kcal/mol:	82.41
Dipole, Da:	4.86
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)C2=C(N=C(S2)N)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations