Geometry & MOs

Info

ID:	26330
PubChem CID:	644521
Reduced:	SO2N6H16C21 (1)
Stoich.:	AB2C6D16E21 (1)
Weight, g/mol:	395.133734
ΔH_f, kcal/mol:	123.89
Dipole, Da:	3.01
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=NC=C5

DOS

IR

Vibrations