Geometry & MOs

Info

ID:	420358
PubChem CID:	135112686
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	603.363199
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	1.91
IP(EA), eV:	-8.84(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-(3-ethoxypropanoyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1CN2CCC3(CC2)CC(CCO3)(C)O

DOS

IR

Vibrations