Geometry & MOs

Info

ID:	307517
PubChem CID:	125307298
Reduced:	SF2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	295.095475
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	5.76
IP(EA), eV:	-8.75(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4H-imidazole-2-thione

Drug info:

PubChemData

Smile

C1CC2=C(C[C@H]1N3[C@H](C=NC3=S)CN)C=C(C=C2F)F

DOS

IR

Vibrations