Geometry & MOs

Info

ID:	421134
PubChem CID:	135115430
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	381.116542
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	6.29
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CC(=O)NC3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations