Geometry & MOs

Info

ID:

162366

PubChem CID:

57394456

Reduced:

O3N4H16C19 (1)

Stoich.:

A3B4C16D19 (1)

Weight, g/mol:

477.218509

ΔHf, kcal/mol:

0.94

Dipole, Da:

4.88

IP(EA), eV:

 -8.36(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(S)-methylsulfinyl]phenyl]-3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C3=C(NC2=O)N=CC(=C4C=CC(=O)C=C4)N3

DOS

IR

Vibrations