Geometry & MOs

Info

ID:	173310
PubChem CID:	75622649
Reduced:	SF2N3O5C15H18 (1)
Stoich.:	AB2C3D5E15F18 (1)
Weight, g/mol:	379.131425
ΔH_f, kcal/mol:	-271.86
Dipole, Da:	5.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754655
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzimidazol-1-yl)propyl]-1,3-dimethyl-2,4-dioxo-1,3-diazinane-5-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C=[N+](C1=O)C)S(=O)(=O)NCCC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations