Geometry & MOs

Info

ID:	42792
PubChem CID:	8150007
Reduced:	FOS2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	-3.98
Dipole, Da:	2.12
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[4-[(2R)-butan-2-yl]anilino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCCC4=CC=C(C=C4)F

DOS

IR

Vibrations