Geometry & MOs

Info

ID:	31886
PubChem CID:	3722625
Reduced:	BrN2O2S2H15C20 (1)
Stoich.:	AB2C2D2E15F20 (1)
Weight, g/mol:	416.188212
ΔH_f, kcal/mol:	42.69
Dipole, Da:	2.49
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-thiazolidine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations