Geometry & MOs

Info

ID:	140593
PubChem CID:	52726959
Reduced:	OSF2N4H16C17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	362.101289
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	5.76
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-(3,4-difluorophenyl)ethyl]sulfanyl-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)F)F)SC2=NN=C(N2N)C3=CC=CC=C3OC

DOS

IR

Vibrations