Geometry & MOs

Info

ID:

314222

PubChem CID:

126620951

Reduced:

OSN3C13H13 (2)

Stoich.:

ABC3D13E13 (2)

Weight, g/mol:

536.200588

ΔHf, kcal/mol:

58.43

Dipole, Da:

2.6

IP(EA), eV:

 -8.44(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethylsulfinyl-N-[[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methylethanamine

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2SC4=C3C=C(C=N4)CN5CCS(=O)CC5)C6=C7C=CNC7=CC=C6

DOS

IR

Vibrations