Geometry & MOs

Info

ID:	420628
PubChem CID:	135114470
Reduced:	SN2O6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-192.6
Dipole, Da:	10.7
IP(EA), eV:	-9.84(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CC[C@H]([C@H](C3)C(=O)O)O

DOS

IR

Vibrations