Geometry & MOs

Info

ID:	307516
PubChem CID:	125307294
Reduced:	O2N5H17C18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	295.095475
ΔH_f, kcal/mol:	55.71
Dipole, Da:	5.34
IP(EA), eV:	-8.85(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CCNC(=O)C3=NN=C(C3)C4=CC=CO4

DOS

IR

Vibrations