Geometry & MOs

Info

ID:	399528
PubChem CID:	135040766
Reduced:	NSO4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-103.3
Dipole, Da:	4.71
IP(EA), eV:	-10.29(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethenyl-4-[(4-methoxyphenyl)methoxy]oxan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=NC=C2)C(=O)OC

DOS

IR

Vibrations