Geometry & MOs

Info

ID:

51658

PubChem CID:

12014365

Reduced:

NO2C24H27 (1)

Stoich.:

AB2C24D27 (1)

Weight, g/mol:

361.204179

ΔHf, kcal/mol:

-32.45

Dipole, Da:

2.78

IP(EA), eV:

 -9.24(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5R,6R,9S,10S,11R,14S,15R)-11-(4-methylphenyl)-12-oxa-3-azahexacyclo[13.2.1.16,9.02,14.03,11.05,10]nonadec-7-en-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@]23[C@H]4[C@H]5C[C@@H]([C@H]4C(=O)N2[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6CO3)C=C5

DOS

IR

Vibrations