Geometry & MOs

Info

ID:

58976

PubChem CID:

24770040

Reduced:

S2N10O12C33H60 (2)

Stoich.:

A2B10C12D33E60 (2)

Weight, g/mol:

144.078644

ΔHf, kcal/mol:

-1116.11

Dipole, Da:

5.45

IP(EA), eV:

 -8.61(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R,5S)-4-ethyl-3-hydroxy-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=S)NCCNC(=O)CCN2CCCN(CCN(CCCN(CC2)CCC(=O)NCCNC(=S)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)CCC(=O)NCCNC(=S)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)CCC(=O)NCCNC(=S)N[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)CO)O)O

DOS

IR

Vibrations