Geometry & MOs

Info

ID:	418861
PubChem CID:	135106972
Reduced:	SCl2N2O4C15H20 (1)
Stoich.:	AB2C2D4E15F20 (1)
Weight, g/mol:	329.094646
ΔH_f, kcal/mol:	-162.25
Dipole, Da:	6.97
IP(EA), eV:	-9.6(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methylsulfanylmethyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations