Geometry & MOs

Info

ID:	420482
PubChem CID:	135113400
Reduced:	ClN4C15H25 (1)
Stoich.:	AB4C15D25 (1)
Weight, g/mol:	603.34207
ΔH_f, kcal/mol:	20.04
Dipole, Da:	3.73
IP(EA), eV:	-8.4(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-14-(2,3-dihydro-1H-indene-2-carbonyl)-5-methyl-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)CCN3C=C(C=N3)Cl

DOS

IR

Vibrations