Geometry & MOs

Info

ID:

394185

PubChem CID:

135022487

Reduced:

H11C35 (4)

Stoich.:

A11B35 (4)

Weight, g/mol:

638.24756

ΔHf, kcal/mol:

842.27

Dipole, Da:

2.58

IP(EA), eV:

 -7.69(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-methyl-N-[(1R,3R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methylidene-11-[methyl(phenylmethoxycarbonyl)amino]-7-oxo-6-prop-2-enyl-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-13-yl]carbamate

Drug info:

PubChemData

Smile

C1CC2=C3C=CC4=C5C=CC6=C7C=CC8=C9C=CC%10=C%11C=CC%12=C%13CCC%14=C%15C=CC%16=C%17C=CC%18=C%19C=CC%20=C1C1=C2C2=C%21C3=C4C3=C4C5=C6C5=C6C7=C8C7=C8C9=C%10C9=C%10C%11=C%12C%11=C%12C%13=C%14C%13=C%14C%15=C%16C%15=C%16C%17=C%18C%17=C%18C%19=C%20C%19=C1C1=C2C2=C%20C%21=C3C(=C3C4=C5C(=C4C6=C7C(=C5C8=C9C(=C6C%10=C%11C(=C7C%12=C%13C(=C8C%14=C%15C(=C9C%16=C%17C(=C%10C%18=C%19C(=C1C=C2)C=C%10)C=C9)C=C8)C=C7)C=C6)C=C5)C=C4)C=C3)C=C%20

DOS

IR

Vibrations