Geometry & MOs

Info

ID:	244109
PubChem CID:	99313689
Reduced:	FSO2N4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	401.094247
ΔH_f, kcal/mol:	-15.38
Dipole, Da:	6.81
IP(EA), eV:	-8.69(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)NC3=C(N=CN3C)C4=CC=C(C=C4)F

DOS

IR

Vibrations