Geometry & MOs

Info

ID:

177377

PubChem CID:

76178594

Reduced:

ClNO2F3H11C12 (1)

Stoich.:

ABC2D3E11F12 (1)

Weight, g/mol:

679.312325

ΔHf, kcal/mol:

-247.96

Dipole, Da:

1.2

IP(EA), eV:

 -10.38(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;hydrochloride

Drug info:

PubChemData

Smile

C1C(C(C(NC1=O)Cl)C2=CC(=CC=C2)C(F)(F)F)O

DOS

IR

Vibrations