Geometry & MOs

Info

ID:	431486
PubChem CID:	135171567
Reduced:	FSO2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	417.102624
ΔH_f, kcal/mol:	-35.71
Dipole, Da:	2.54
IP(EA), eV:	-8.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)sulfanyl-5-ethyl-N-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)F)SN(C)C2=CC3=C(N=C2)OCC(N=C3/C=C\N)C

DOS

IR

Vibrations