Geometry & MOs

Info

ID:	242422
PubChem CID:	96099958
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	252.138639
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	3.16
IP(EA), eV:	-9.08(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-amino-3-[7-fluoro-2-(methylaminomethyl)benzimidazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)[C@@H]2C[C@@H]2C(=O)N3CCC[C@@H]3C4=NOC(=N4)C(C)C

DOS

IR

Vibrations