Geometry & MOs

Info

ID:	61539
PubChem CID:	26710321
Reduced:	SN2O7C21H26 (1)
Stoich.:	AB2C7D21E26 (1)
Weight, g/mol:	446.151158
ΔH_f, kcal/mol:	-229.42
Dipole, Da:	5.26
IP(EA), eV:	-8.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations