Geometry & MOs

Info

ID:	28948
PubChem CID:	830834
Reduced:	N2S2O3H14C16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	342.040734
ΔH_f, kcal/mol:	-47.82
Dipole, Da:	7.56
IP(EA), eV:	-8.95(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-nitrophenyl)-1-hydroxynaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CS2

DOS

IR

Vibrations