Geometry & MOs

Info

ID:

176175

PubChem CID:

76004646

Reduced:

SO2N4H8C12 (1)

Stoich.:

AB2C4D8E12 (1)

Weight, g/mol:

610.30054

ΔHf, kcal/mol:

99.87

Dipole, Da:

7.89

IP(EA), eV:

 -9.48(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[1-(dimethylamino)ethyl]-18-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-hydroxy-6,10,15-trimethyl-17-oxa-19-azahexacyclo[12.8.0.01,3.03,11.06,10.015,20]docos-18-en-4-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations