Geometry & MOs

Info

ID:	17198
PubChem CID:	487603
Reduced:	SN3O7C18H19 (1)
Stoich.:	AB3C7D18E19 (1)
Weight, g/mol:	421.094371
ΔH_f, kcal/mol:	-148.11
Dipole, Da:	7.48
IP(EA), eV:	-9.9(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-pentoxycarbonylphenyl)-N'-(5-nitrofuran-2-carbonyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CCCCCOC(=O)C1=C(C=C(C=C1)NC(=NC(=O)C2=CC=C(O2)[N+](=O)[O-])S)O

DOS

IR

Vibrations