Geometry & MOs

Info

ID:	138339
PubChem CID:	52351249
Reduced:	SN2O5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	368.140593
ΔH_f, kcal/mol:	-169.44
Dipole, Da:	2.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.114147
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[(2R)-2-phenylbutanoyl]sulfamoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=NS(=O)(=O)N2CCC(CC2)C(=O)OC)[O-]

DOS

IR

Vibrations