Geometry & MOs

Info

ID:	138320
PubChem CID:	52347270
Reduced:	SF2N4O4H14C15 (1)
Stoich.:	AB2C4D4E14F15 (1)
Weight, g/mol:	381.229051
ΔH_f, kcal/mol:	-191.88
Dipole, Da:	3.23
IP(EA), eV:	-9.06(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[[(2R)-2-(benzimidazol-1-yl)propanoyl]amino]phenoxy]ethyl-diethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCNC1=O)SC2=NN=C(O2)C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations