Geometry & MOs

Info

ID:	66108
PubChem CID:	46493487
Reduced:	SO2N3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	453.135842
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	7.9
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=CS1)CC(=O)NCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35

DOS

IR

Vibrations