Geometry & MOs

Info

ID:

160993

PubChem CID:

57390466

Reduced:

SCl2O6N8C35H46 (1)

Stoich.:

AB2C6D8E35F46 (1)

Weight, g/mol:

502.07797

ΔHf, kcal/mol:

-192.06

Dipole, Da:

6.53

IP(EA), eV:

 -8.6(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-bromo-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene-4,17-diol

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCN(CC5)C(=O)[C@H](CCCCN=C(N)N)N)Cl)C

DOS

IR

Vibrations