Geometry & MOs

Info

ID:	390657
PubChem CID:	135000208
Reduced:	NSO2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-66.31
Dipole, Da:	7.13
IP(EA), eV:	-8.49(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(5-ethoxy-5-oxopentyl)benzoate

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C1=CC(=CC=C1)C(=O)C)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations