Geometry & MOs

Info

ID:	347209
PubChem CID:	127271750
Reduced:	FN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-135.01
Dipole, Da:	6.27
IP(EA), eV:	-9.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-N-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethyl]imidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations