Geometry & MOs

Info

ID:	431387
PubChem CID:	135171462
Reduced:	FSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	386.121275
ΔH_f, kcal/mol:	-102.44
Dipole, Da:	4.38
IP(EA), eV:	-8.56(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxy-5-fluorophenyl)sulfanyl-N-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)SNC2=CC(=C(N=C2)OC)C(=O)N3CCCC3

DOS

IR

Vibrations