Geometry & MOs

Info

ID:	122440
PubChem CID:	50807127
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	394.098728
ΔH_f, kcal/mol:	-89.84
Dipole, Da:	8.96
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCOC4=CC=CC=C4C3)C(=O)O

DOS

IR

Vibrations