Geometry & MOs

Info

ID:	62713
PubChem CID:	26736294
Reduced:	SN2O5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	460.166808
ΔH_f, kcal/mol:	-181.42
Dipole, Da:	8.81
IP(EA), eV:	-8.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[(2-ethoxyphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N[C@H]3CCCC[C@H]3C

DOS

IR

Vibrations