Geometry & MOs

Info

ID:

222003

PubChem CID:

85293300

Reduced:

SP2N3O6C15H37 (1)

Stoich.:

AB2C3D6E15F37 (1)

Weight, g/mol:

449.220223

ΔHf, kcal/mol:

-461.13

Dipole, Da:

11.09

IP(EA), eV:

 -8.74(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(cyclopropanecarbonyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCSP(=O)([O-])OP(=O)([O-])[O-])C)C)C.[NH4+].[NH4+].[NH4+]

DOS

IR

Vibrations