Geometry & MOs

Info

ID:

298157

PubChem CID:

117647819

Reduced:

BrN3H26C34 (1)

Stoich.:

AB3C26D34 (1)

Weight, g/mol:

544.251977

ΔHf, kcal/mol:

134.17

Dipole, Da:

1.12

IP(EA), eV:

 -8.27(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-[(2R,3R,4S,5S,6R)-3-acetyloxy-6-ethyl-4,5-dimethyloxan-2-yl]oxy-6-prop-2-enoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)N3C4=CC=CC=C4C5=CC=CC=C53)C6=C1N=C7C8=C(C=C(C=C8)Br)C(C7=N6)(C)C)C

DOS

IR

Vibrations