Geometry & MOs

Info

ID:	44345
PubChem CID:	10502946
Reduced:	NSeO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	434.168916
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	5.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.917580
Charge, e:	0

Chem-info

IUPAC name:

benzyl (4S)-4-[4-ethoxy-2-(2-ethoxy-2-oxoethyl)imino-4-oxobutyl]-5-oxo-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C]1[CH][CH][CH][C]1[Se]C[C@H]2CCC(=O)O2)N(C)C

DOS

IR

Vibrations