Geometry & MOs

Info

ID:	418137
PubChem CID:	135103647
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	623.331899
ΔH_f, kcal/mol:	-123.44
Dipole, Da:	3.31
IP(EA), eV:	-8.57(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CC3=CC4=C(C=C3)C=C(C=C4)O)O

DOS

IR

Vibrations