Geometry & MOs

Info

ID:	417978
PubChem CID:	135103210
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	581.303576
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	1.3
IP(EA), eV:	-8.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC3=CN=C(N=C3)NCC4CCCO4)OCC1

DOS

IR

Vibrations