Geometry & MOs

Info

ID:	197183
PubChem CID:	78934269
Reduced:	SO2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-43.56
Dipole, Da:	1.55
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)OCC2=CC=CS2)O

DOS

IR

Vibrations