Geometry & MOs

Info

ID:	29959
PubChem CID:	838550
Reduced:	NO3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-150.12
Dipole, Da:	4.52
IP(EA), eV:	-9.7(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(CN)[C@@H](C(=O)O)O

DOS

IR

Vibrations