Geometry & MOs

Info

ID:	37061
PubChem CID:	8016457
Reduced:	O2N3H19C23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	412.297745
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	2.98
IP(EA), eV:	-9.01(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S,5'R,6S,7S,8S,9S,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=NC2=C3C(=C1)C4=CC=CC=C4N3C(=O)C5=CC=CC=C52

DOS

IR

Vibrations