Geometry & MOs

Info

ID:	329290
PubChem CID:	126734103
Reduced:	F3O5N8C32H41 (1)
Stoich.:	A3B5C8D32E41 (1)
Weight, g/mol:	158.062618
ΔH_f, kcal/mol:	-310.08
Dipole, Da:	8.12
IP(EA), eV:	-9.19(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylsulfanylethyl)-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

C[C@H](CCCCNC(=O)CCCC=C)NC(=O)C1=CC=C(C=C1)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C(C)C)C(C(F)(F)F)O

DOS

IR

Vibrations