Geometry & MOs

Info

ID:	418561
PubChem CID:	135105771
Reduced:	NO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	-182.56
Dipole, Da:	6.68
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=C(C=C(C=C1)CN2CCC3(CC2)CCO3)OC

DOS

IR

Vibrations