Geometry & MOs

Info

ID:	200963
PubChem CID:	79466928
Reduced:	SN2O3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	242.98949
ΔH_f, kcal/mol:	-92.51
Dipole, Da:	2.58
IP(EA), eV:	-8.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-methoxy-4-methylbenzamide

Drug info:

PubChemData

Smile

COC1=CSC(=C1)C(=O)NCC(=O)N

DOS

IR

Vibrations