Geometry & MOs

Info

ID:

162376

PubChem CID:

57394484

Reduced:

SN3O5C19H21 (1)

Stoich.:

AB3C5D19E21 (1)

Weight, g/mol:

734.34146

ΔHf, kcal/mol:

-171.39

Dipole, Da:

5.63

IP(EA), eV:

 -9.47(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-2-[[(E)-prop-1-enyl]amino]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)S(=O)(=O)N2C[C@@H](NC2=O)C3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations