Geometry & MOs

Info

ID:	416836
PubChem CID:	135090530
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	324.241293
ΔH_f, kcal/mol:	-161.3
Dipole, Da:	5.04
IP(EA), eV:	-9.61(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations