Geometry & MOs

Info

ID:

159331

PubChem CID:

57269579

Reduced:

SO2N5H20C23 (1)

Stoich.:

AB2C5D20E23 (1)

Weight, g/mol:

963.647753

ΔHf, kcal/mol:

65.94

Dipole, Da:

2.92

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.978096

Charge, e:

0

Chem-info

IUPAC name:

(2R,3S,4S,11S)-1-[1-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]cyclobutyl]-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,8,12-tetramethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)[N+]3=C(N=C(N=C3S2)N)NC4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations