Geometry & MOs

Info

ID:	140592
PubChem CID:	52726716
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	362.101289
ΔH_f, kcal/mol:	-37.44
Dipole, Da:	5.37
IP(EA), eV:	-8.59(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]1C2=CC=C(O2)CCC(=O)NCC3=CC=CC=C3N4CCCC4

DOS

IR

Vibrations