Geometry & MOs

Info

ID:	416057
PubChem CID:	135089062
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	544.337319
ΔH_f, kcal/mol:	-220.5
Dipole, Da:	5.03
IP(EA), eV:	-9.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-13-[2-(dimethylamino)acetyl]-15-ethyl-9-methyl-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations