Geometry & MOs

Info

ID:	186534
PubChem CID:	77443244
Reduced:	S2O3N5H17C22 (1)
Stoich.:	A2B3C5D17E22 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	36.7
Dipole, Da:	8.35
IP(EA), eV:	-8.82(-2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hept-2-enyl-4-hydroxy-3-(phenoxymethyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N=C4C=CC(=S)C=C4

DOS

IR

Vibrations