Geometry & MOs

Info

ID:	31308
PubChem CID:	855556
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-37.82
Dipole, Da:	5.89
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations