Geometry & MOs

Info

ID:	66018
PubChem CID:	46488140
Reduced:	BrN3O4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	380.079055
ΔH_f, kcal/mol:	-34.51
Dipole, Da:	6.19
IP(EA), eV:	-9.03(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)Br

DOS

IR

Vibrations