Geometry & MOs

Info

ID:	38454
PubChem CID:	8090629
Reduced:	SN2O3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	5.27
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-benzoyl-N-[(1R)-1-phenylethyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2[C@H](SCC2=O)C3=CC(=CC=C3)NC(=O)C4=CC=CO4)C

DOS

IR

Vibrations