Geometry & MOs

Info

ID:	423794
PubChem CID:	135120229
Reduced:	N7O8C36H47 (1)
Stoich.:	A7B8C36D47 (1)
Weight, g/mol:	283.214744
ΔH_f, kcal/mol:	-311.66
Dipole, Da:	12.95
IP(EA), eV:	-9.34(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methyl-9-(4-methylpent-3-enyl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)CN3CCOC3=O)C4=CC=CC=C4

DOS

IR

Vibrations