Geometry & MOs

Info

ID:	414324
PubChem CID:	135087280
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-4.78
Dipole, Da:	4.4
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-N-(4-butylphenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCCNC(=O)COC3=CN=CC=C3

DOS

IR

Vibrations