Geometry & MOs

Info

ID:	15677
PubChem CID:	447227
Reduced:	SN2O4C11H20 (1)
Stoich.:	AB2C4D11E20 (1)
Weight, g/mol:	276.114378
ΔH_f, kcal/mol:	-189.91
Dipole, Da:	5.99
IP(EA), eV:	-8.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-[[(Z)-2-sulfanylethenyl]amino]propyl]butanamide

Drug info:

PubChemData

Smile

CC(C)(CO)[C@H](C(=O)NCCC(=O)N/C=C\S)O

DOS

IR

Vibrations