Geometry & MOs

Info

ID:

312185

PubChem CID:

126603483

Reduced:

SN4O10C57H76 (1)

Stoich.:

AB4C10D57E76 (1)

Weight, g/mol:

450.240624

ΔHf, kcal/mol:

-374.59

Dipole, Da:

14.04

IP(EA), eV:

 -8.24(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,6R,13S)-12-tert-butyl-16,17-dimethoxy-12-methyl-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(/C(=C\C=C\C3=NC4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)/C2(C)C)CCCCCC(=O)NCCNC(=O)COC5CCC6(C(C5)CCC7C6CC(C8(C7(CCC8C9=CC(=O)OC9)O)C)O)C

DOS

IR

Vibrations