Geometry & MOs

Info

ID:	410069
PubChem CID:	135082858
Reduced:	ClC16H29 (1)
Stoich.:	AB16C29 (1)
Weight, g/mol:	636.341067
ΔH_f, kcal/mol:	-22.58
Dipole, Da:	1.64
IP(EA), eV:	-9.81(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2S)-2-(cyclohexanecarbonylamino)propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC#CCl

DOS

IR

Vibrations