Geometry & MOs

Info

ID:	417717
PubChem CID:	135102542
Reduced:	N3O3C18H23 (2)
Stoich.:	A3B3C18D23 (2)
Weight, g/mol:	341.146093
ΔH_f, kcal/mol:	-213.35
Dipole, Da:	4.3
IP(EA), eV:	-9.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(2-fluoro-4-methylphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N2CCCCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=CC=C(C2)C=C3)CC4=CC=CC=C4)CC(C)C)C

DOS

IR

Vibrations