Geometry & MOs

Info

ID:	36631
PubChem CID:	8010101
Reduced:	SN3O3H17C20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	374.098352
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	5.26
IP(EA), eV:	-9.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CS2)[C@@]3(C1)C(=O)N(C(=O)N3)CC4=NC=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations