Geometry & MOs

Info

ID:	415433
PubChem CID:	135088427
Reduced:	N6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	663.385666
ΔH_f, kcal/mol:	74.06
Dipole, Da:	3.41
IP(EA), eV:	-8.85(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C1=NC=NC(=C1)NC(C2CC2)C3=NC=CN3C

DOS

IR

Vibrations