Geometry & MOs

Info

ID:	141467
PubChem CID:	52880324
Reduced:	F3S3N4C18H19 (1)
Stoich.:	A3B3C4D18E19 (1)
Weight, g/mol:	435.151115
ΔH_f, kcal/mol:	-60.64
Dipole, Da:	4.95
IP(EA), eV:	-8.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[[(6S)-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl]methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=NC=CN3CC(F)(F)F

DOS

IR

Vibrations