Geometry & MOs

Info

ID:

392200

PubChem CID:

135013655

Reduced:

O2S2N3H23C24 (1)

Stoich.:

A2B2C3D23E24 (1)

Weight, g/mol:

796.434677

ΔHf, kcal/mol:

61.16

Dipole, Da:

2.65

IP(EA), eV:

 -8.53(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E,4E,6S,7S,9E,11E,15R,16S)-7-[(E)-8-dimethoxyphosphoryl-7-oxooct-2-enoyl]oxy-15-hydroxy-4,6,9-trimethyl-17-oxo-16-tri(propan-2-yl)silyloxyheptadeca-2,4,9,11-tetraenoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCC(=O)C(CSC2=CC=CC=C2)(C3=CC=C(C=C3)CN=[N+]=[N-])O

DOS

IR

Vibrations