Geometry & MOs

Info

ID:	265425
PubChem CID:	103520227
Reduced:	NSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	227.061614
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	2.17
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC2=CC=C(C=C2)CO

DOS

IR

Vibrations