Geometry & MOs

Info

ID:	64577
PubChem CID:	29203042
Reduced:	FSO2N4H25C26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	460.173311
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	3.62
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations