Geometry & MOs

Info

ID:	420043
PubChem CID:	135110863
Reduced:	O3N5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-23.09
Dipole, Da:	4.05
IP(EA), eV:	-8.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CCNC(=O)C3=CC(=CC=C3)OCCN4C=C(COC5=CC=C(CN(C1)C2)C=C5)N=N4

DOS

IR

Vibrations