Geometry & MOs

Info

ID:	276478
PubChem CID:	103823711
Reduced:	BrN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	382.96091
ΔH_f, kcal/mol:	-68.51
Dipole, Da:	3.53
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(1,1-dioxo-1,4-thiazepan-4-yl)sulfonyl]pyridin-2-amine

Drug info:

PubChemData

Smile

COCCOC1=NC=C(C=C1)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations