Geometry & MOs

Info

ID:	140393
PubChem CID:	52690162
Reduced:	SF2N3O4C20H29 (1)
Stoich.:	AB2C3D4E20F29 (1)
Weight, g/mol:	436.160283
ΔH_f, kcal/mol:	-263.86
Dipole, Da:	6.55
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetyl]-propylamino]-N-propylacetamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN(CCC)C(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations