Geometry & MOs

Info

ID:	123096
PubChem CID:	50832823
Reduced:	BrFO3N4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	492.171893
ΔH_f, kcal/mol:	-119.62
Dipole, Da:	3.68
IP(EA), eV:	-9.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenylcyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1C(=O)NC2=CC=C(C=C2)Br)CC(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations