Geometry & MOs

Info

ID:

309613

PubChem CID:

126550885

Reduced:

SN4O5C20H22 (1)

Stoich.:

AB4C5D20E22 (1)

Weight, g/mol:

610.19328

ΔHf, kcal/mol:

-106.11

Dipole, Da:

4.17

IP(EA), eV:

 -8.96(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2COC[C@H]2O)C3=CC(=C(N=C3)N)C4=CC(=NO4)C

DOS

IR

Vibrations