Geometry & MOs

Info

ID:

311830

PubChem CID:

126598081

Reduced:

NOF2C9H11 (1)

Stoich.:

ABC2D9E11 (1)

Weight, g/mol:

586.280278

ΔHf, kcal/mol:

-108.87

Dipole, Da:

2.91

IP(EA), eV:

-9.84(0.22)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1R,3S,4S,11S)-17-amino-18-(aminomethyl)-8,16-dibutoxy-4-(dimethylamino)-19-fluoro-11,14-dihydroxy-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15(20),16,18-hexaene-10,12-dione

Drug info:

PubChemData

Smile

C#CC1CCN(CC1)C(=O)C(F)F

DOS

IR

Vibrations