Geometry & MOs

Info

ID:	122439
PubChem CID:	50807126
Reduced:	FSN2O3C23H23 (1)
Stoich.:	ABC2D3E23F23 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-107.0
Dipole, Da:	4.51
IP(EA), eV:	-8.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations