Geometry & MOs

Info

ID:	302361
PubChem CID:	124361419
Reduced:	N3O3H27C31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	463.329774
ΔH_f, kcal/mol:	35.89
Dipole, Da:	6.46
IP(EA), eV:	-7.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-[7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-oxoheptyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)N(C)[C@H](C)[C@H](C6=CC=CC=C6)O

DOS

IR

Vibrations