Geometry & MOs

Info

ID:	283998
PubChem CID:	104024991
Reduced:	BrSN2O3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	372.9442
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	5.06
IP(EA), eV:	-9.19(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)S(=O)(=O)C3=CC(=CN=C3)Br

DOS

IR

Vibrations