Geometry & MOs

Info

ID:	228822
PubChem CID:	87565875
Reduced:	SN3O5C20H29 (1)
Stoich.:	AB3C5D20E29 (1)
Weight, g/mol:	218.115424
ΔH_f, kcal/mol:	-203.46
Dipole, Da:	1.46
IP(EA), eV:	-9.11(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-tert-butyl 1-O-methyl (2S)-2-[(1R)-1-hydroxyethyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC(=NN1C(=O)OC(C)(C)C)/C=C\2/CNCCC2SC(=O)C

DOS

IR

Vibrations