Geometry & MOs

Info

ID:

388921

PubChem CID:

134990611

Reduced:

S2N5O8H33C34 (1)

Stoich.:

A2B5C8D33E34 (1)

Weight, g/mol:

1351.908473

ΔHf, kcal/mol:

-149.06

Dipole, Da:

6.64

IP(EA), eV:

 -9.2(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,7S,8R,9S,11S,13E,15R,16S,18S,19S,20S,23S)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethoxy-16-[(4-methoxyphenyl)methoxy]-20-[(E)-1-[(1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexyl]prop-1-en-2-yl]-5,11,13,19-tetramethyl-15-prop-2-enyl-18-tri(propan-2-yl)silyloxy-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,3,4,22-tetrone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CO/N=C(/C1=CSC(=N1)NC=O)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations