Geometry & MOs

Info

ID:	312118
PubChem CID:	126603297
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	300.150764
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	3.64
IP(EA), eV:	-8.66(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-N-[(1S)-1-(3-butoxy-1,2-oxazol-5-yl)prop-2-enyl]butane-1-sulfinamide

Drug info:

PubChemData

Smile

CCCCS(=O)N[C@@H](C=C)C1=CC(=NO1)OCC2=CC=CC=C2

DOS

IR

Vibrations