Geometry & MOs

Info

ID:

125294

PubChem CID:

50918860

Reduced:

O7C19H24 (1)

Stoich.:

A7B19C24 (1)

Weight, g/mol:

343.251129

ΔHf, kcal/mol:

-141.24

Dipole, Da:

2.54

IP(EA), eV:

 -9.43(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3R,6S,7R,11S,14S,16R)-2,6-dimethyl-7-propan-2-yl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadec-9-en-8-one

Drug info:

PubChemData

Smile

CC1=C[C@H]2[C@@](CC1)([C@@]3([C@@H](C(=O)[C@@H]([C@]34CO4)O2)OC(=O)C)C)COC(=O)C

DOS

IR

Vibrations