Geometry & MOs

Info

ID:

218802

PubChem CID:

85089997

Reduced:

FNS3O6C22H22 (1)

Stoich.:

ABC3D6E22F22 (1)

Weight, g/mol:

511.272259

ΔHf, kcal/mol:

-223.03

Dipole, Da:

3.73

IP(EA), eV:

 -9.99(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(cyclopropylmethyl)-15-methoxy-17-phenylmethoxy-13-oxa-5-azaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraen-11-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C(C)NS(=O)(=O)C

DOS

IR

Vibrations