Geometry & MOs

Info

ID:	122434
PubChem CID:	50806949
Reduced:	FSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	482.164185
ΔH_f, kcal/mol:	-132.26
Dipole, Da:	7.87
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzamido-2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]benzoic acid

Drug info:

PubChemData

Smile

COCCN(CC1=CC=CS1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations