Geometry & MOs

Info

ID:	33413
PubChem CID:	7886338
Reduced:	S2N3O3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	416.114082
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	2.94
IP(EA), eV:	-8.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylsulfanylethyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3C5=C(S4)CCCC5

DOS

IR

Vibrations