Geometry & MOs

Info

ID:	283972
PubChem CID:	104022816
Reduced:	OSN2C5H7 (2)
Stoich.:	ABC2D5E7 (2)
Weight, g/mol:	346.03169
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	4.4
IP(EA), eV:	-9.34(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-bromophenyl)-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1S(=O)(=O)N)C2=CSC=C2

DOS

IR

Vibrations