Geometry & MOs

Info

ID:	431500
PubChem CID:	135171581
Reduced:	ClSF3N3O3C19H19 (1)
Stoich.:	ABC3D3E3F19G19 (1)
Weight, g/mol:	374.060425
ΔH_f, kcal/mol:	-234.82
Dipole, Da:	4.07
IP(EA), eV:	-8.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)sulfanyl-9-oxa-2,3,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-13-amine

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)C2=C(N=CC(=C2)NSC3=C(C=CC(=C3)Cl)OC(F)(F)F)OC

DOS

IR

Vibrations