Geometry & MOs

Info

ID:	271241
PubChem CID:	103650003
Reduced:	BrOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	293.047027
ΔH_f, kcal/mol:	9.2
Dipole, Da:	4.22
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=NC=CS1)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations