Geometry & MOs

Info

ID:	284826
PubChem CID:	104072989
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	266.120132
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	3.52
IP(EA), eV:	-8.6(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CNCC1=CC=C(O1)CS(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations