Geometry & MOs

Info

ID:	423659
PubChem CID:	135119954
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	559.319226
ΔH_f, kcal/mol:	-44.36
Dipole, Da:	2.76
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-3-methyl-13-(3-methylbut-2-enyl)-6-(2-methylsulfanylethyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C3=C(C=NC=C3)F

DOS

IR

Vibrations