Geometry & MOs

Info

ID:	390636
PubChem CID:	135000089
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-46.06
Dipole, Da:	5.17
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-(2-hydroxyethyl)hept-5-en-2-one

Drug info:

PubChemData

Smile

CCC/C(=C\C)/[C@@H](C1CC1)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations