Geometry & MOs

Info

ID:

43213

PubChem CID:

10319649

Reduced:

SnC22H32 (1)

Stoich.:

AB22C32 (1)

Weight, g/mol:

415.189592

ΔHf, kcal/mol:

24.35

Dipole, Da:

0.5

IP(EA), eV:

 -9.24(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,13R)-22-(cyclopropylmethyl)-14-oxa-9,11,22-triazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol

Drug info:

PubChemData

Smile

CC[C@H](C)C[Sn](C[C@@H](C)CC)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations