Geometry & MOs

Info

ID:	419649
PubChem CID:	135108664
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	589.32642
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	6.63
IP(EA), eV:	-9.25(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations