Geometry & MOs

Info

ID:	36235
PubChem CID:	7982263
Reduced:	ClSO3N5C13H14 (1)
Stoich.:	ABC3D5E13F14 (1)
Weight, g/mol:	379.039355
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	7.39
IP(EA), eV:	-8.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations