Geometry & MOs

Info

ID:	299523
PubChem CID:	117687233
Reduced:	NSO3C8H13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	334.14501
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	3.95
IP(EA), eV:	-9.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 3-O-propan-2-yloxycarbonyl (2R)-2-(tert-butylsulfanylmethyl)-2-methylpropanedioate

Drug info:

PubChemData

Smile

CCCCC1(CSC(=O)N1)C(=O)O

DOS

IR

Vibrations