Geometry & MOs

Info

ID:	159279
PubChem CID:	57269417
Reduced:	O3C27H46 (1)
Stoich.:	A3B27C46 (1)
Weight, g/mol:	132.024501
ΔH_f, kcal/mol:	-211.15
Dipole, Da:	2.13
IP(EA), eV:	-9.1(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(1-oxopropan-2-yl) ethanethioate

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C(O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

DOS

IR

Vibrations