Geometry & MOs

Info

ID:	165062
PubChem CID:	74491869
Reduced:	BrSO3N4C17H25 (1)
Stoich.:	ABC3D4E17F25 (1)
Weight, g/mol:	418.270582
ΔH_f, kcal/mol:	-106.92
Dipole, Da:	6.66
IP(EA), eV:	-9.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methyl]-8-(1-methoxypropan-2-yl)-1-(2-methylpropyl)-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations