Geometry & MOs

Info

ID:

314260

PubChem CID:

126621071

Reduced:

SO3N6C26H26 (1)

Stoich.:

AB3C6D26E26 (1)

Weight, g/mol:

532.189275

ΔHf, kcal/mol:

34.47

Dipole, Da:

2.7

IP(EA), eV:

 -8.49(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-(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]-1,4-thiazepane 1,1-dioxide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)CN5CCS(=O)CC5)C6=C7C=CNC7=CC=C6

DOS

IR

Vibrations