Geometry & MOs

Info

ID:	402003
PubChem CID:	135053794
Reduced:	PC3O6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	389.256609
ΔH_f, kcal/mol:	-677.4
Dipole, Da:	4.19
IP(EA), eV:	-11.13(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-2-(2-phenylmethoxyethyl)-1-oxa-7-azaspiro[5.5]undecan-8-one

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@H](C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O

DOS

IR

Vibrations