Geometry & MOs

Info

ID:	420390
PubChem CID:	135112892
Reduced:	SO3N5C13H13 (1)
Stoich.:	AB3C5D13E13 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	25.45
Dipole, Da:	3.52
IP(EA), eV:	-9.57(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(1-methylcyclopentyl)methanone

Drug info:

PubChemData

Smile

CC1=C(SN=N1)CNC(=O)CCC2=NC(=NO2)C3=CC=CO3

DOS

IR

Vibrations