Geometry & MOs

Info

ID:	128565
PubChem CID:	51050122
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	334.178024
ΔH_f, kcal/mol:	-43.44
Dipole, Da:	5.8
IP(EA), eV:	-9.21(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1R,2R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2-methylcyclopropyl]-3-methylfuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CS2

DOS

IR

Vibrations