Geometry & MOs

Info

ID:	270466
PubChem CID:	103636709
Reduced:	BrIN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	296.076553
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	2.33
IP(EA), eV:	-9.74(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N)C(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations