Geometry & MOs

Info

ID:

314248

PubChem CID:

126621039

Reduced:

O3N5C26H31 (1)

Stoich.:

A3B5C26D31 (1)

Weight, g/mol:

534.204925

ΔHf, kcal/mol:

19.14

Dipole, Da:

1.97

IP(EA), eV:

 -8.71(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-[[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]-N-methylethanamine

Drug info:

PubChemData

Smile

C1CC2CC3(C4C3C2CC1C4)COC(=O)N5C[C@H]6CN(C[C@H]6C5)C(=O)C7=CC8=NNN=C8C=C7

DOS

IR

Vibrations