Geometry & MOs

Info

ID:	423621
PubChem CID:	135119863
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	568.300933
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	6.62
IP(EA), eV:	-8.41(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-13-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-7,12-dimethyl-9-propan-2-yl-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C(=C1)CN2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)C

DOS

IR

Vibrations