Geometry & MOs

Info

ID:	399349
PubChem CID:	135039793
Reduced:	C9O10H14 (1)
Stoich.:	A9B10C14 (1)
Weight, g/mol:	248.087101
ΔH_f, kcal/mol:	-424.17
Dipole, Da:	8.31
IP(EA), eV:	-10.87(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[(3R,4Z)-4-(thiophen-2-ylmethylidene)oxolan-3-yl]pent-3-en-2-one

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H]([C@@H](C(C(=O)C(=O)O)C(=O)O)O)O)O)O)O

DOS

IR

Vibrations