Geometry & MOs

Info

ID:	141342
PubChem CID:	52863162
Reduced:	SO2N6H14C16 (1)
Stoich.:	AB2C6D14E16 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	48.67
Dipole, Da:	8.15
IP(EA), eV:	-9.56(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)SC(=N2)NC(=O)CC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations