Geometry & MOs

Info

ID:	150346
PubChem CID:	53790034
Reduced:	O2C7H16 (1)
Stoich.:	A2B7C16 (1)
Weight, g/mol:	454.213758
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	2.15
IP(EA), eV:	-9.56(2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-[2-(4-propan-2-yloxyphenyl)ethenylsulfonylcarbamoylamino]octanoate

Drug info:

PubChemData

Smile

CCC(C)(CCOC)O

DOS

IR

Vibrations