Geometry & MOs

Info

ID:	422989
PubChem CID:	135118736
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	34.16
Dipole, Da:	3.77
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NOC(=N3)C4=CC=CC=C4)C5=C1C=CS5

DOS

IR

Vibrations