Geometry & MOs

Info

ID:	41915
PubChem CID:	8147823
Reduced:	FOSN3C20H22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	372.154587
ΔH_f, kcal/mol:	-43.98
Dipole, Da:	3.68
IP(EA), eV:	-8.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=C(C=C1)F)NCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations