Geometry & MOs

Info

ID:	165475
PubChem CID:	74553968
Reduced:	SF3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	358.24811
ΔH_f, kcal/mol:	-59.77
Dipole, Da:	1.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756619
Charge, e:	2

Chem-info

IUPAC name:

[1-[5-[ethyl-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]-dimethylazanium

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CCSC2=NC=CC(=N2)C3CCCN(C3)CC4=C(C=CC(=C4F)F)F

DOS

IR

Vibrations