Geometry & MOs

Info

ID:	280744
PubChem CID:	103851064
Reduced:	BrNSO3C11H16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	304.087078
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	3.63
IP(EA), eV:	-9.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC(CCO)COC)Br

DOS

IR

Vibrations