Geometry & MOs

Info

ID:

46873

PubChem CID:

10528042

Reduced:

O7C26H38 (1)

Stoich.:

A7B26C38 (1)

Weight, g/mol:

462.197714

ΔHf, kcal/mol:

-345.82

Dipole, Da:

3.73

IP(EA), eV:

 -9.62(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,11R,12R,13E)-13-ethylidene-3-methyl-15-[2-[(R)-phenylsulfinyl]ethyl]-3,15-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-11-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@]1(CC[C@@H]([C@]2([C@H]1C[C@H](C3=C2CC[C@]([C@@H]3OC(=O)C)(C)C=C)OC(=O)C)C)O)C

DOS

IR

Vibrations