Geometry & MOs

Info

ID:	137883
PubChem CID:	52279484
Reduced:	BrFSN2O2C16H16 (1)
Stoich.:	ABCD2E2F16G16 (1)
Weight, g/mol:	396.23995
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	1.43
IP(EA), eV:	-9.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[(1R)-1-[[6-(diethylamino)pyridin-1-ium-3-yl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)CC1=CC=CC=C1F)NC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations