Geometry & MOs

Info

ID:	44527
PubChem CID:	10503900
Reduced:	N4O5C24H30 (1)
Stoich.:	A4B5C24D30 (1)
Weight, g/mol:	454.263682
ΔH_f, kcal/mol:	-168.06
Dipole, Da:	4.96
IP(EA), eV:	-9.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,7S,8S)-8-diphenylphosphoryl-2,3-dimethyl-7-pentyl-1,4-dioxaspiro[4.6]undecane

Drug info:

PubChemData

Smile

CC(=O)O[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations