Geometry & MOs

Info

ID:	47949
PubChem CID:	10535999
Reduced:	NSO2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-69.5
Dipole, Da:	2.52
IP(EA), eV:	-9.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S,3R,5S)-5-formyl-2,3-dimethyloxolan-2-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)C(C)C

DOS

IR

Vibrations