Geometry & MOs

Info

ID:	137712
PubChem CID:	52247860
Reduced:	SN2O4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	6.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755936
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]carbamoyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[NH+](C1)[C@@H](C)CNC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations