Geometry & MOs

Info

ID:	122445
PubChem CID:	50807132
Reduced:	ClN3O3C26H32 (1)
Stoich.:	AB3C3D26E32 (1)
Weight, g/mol:	388.142307
ΔH_f, kcal/mol:	-108.3
Dipole, Da:	9.53
IP(EA), eV:	-8.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations