Geometry & MOs

Info

ID:

176347

PubChem CID:

76035696

Reduced:

SN2O11C27H42 (1)

Stoich.:

AB2C11D27E42 (1)

Weight, g/mol:

509.218921

ΔHf, kcal/mol:

-455.46

Dipole, Da:

1.65

IP(EA), eV:

 -9.96(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6,9-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CCCOS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])CC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations