Geometry & MOs

Info

ID:	392797
PubChem CID:	135017993
Reduced:	NSeO6C14H27 (1)
Stoich.:	ABC6D14E27 (1)
Weight, g/mol:	394.03532
ΔH_f, kcal/mol:	-255.07
Dipole, Da:	2.37
IP(EA), eV:	-8.44(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]selanyl-1-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H]([C@@H](CC[Se]CCC(=O)N(C)OC)O)O)C

DOS

IR

Vibrations