Geometry & MOs

Info

ID:	407479
PubChem CID:	135080222
Reduced:	IOSC14H15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	9.95
Dipole, Da:	2.0
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(hydroxymethyl)-2-(3-hydroxypropyl)hex-5-enoate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H](C(=C2C1)C3=CSC(=C3)C=O)CI

DOS

IR

Vibrations