Geometry & MOs

Info

ID:	414465
PubChem CID:	135087423
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	327.161663
ΔH_f, kcal/mol:	-187.07
Dipole, Da:	6.67
IP(EA), eV:	-9.56(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)CN2CC[C@@H]([C@@](C2)(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations