Geometry & MOs

Info

ID:	31470
PubChem CID:	855759
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	3.63
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C

DOS

IR

Vibrations