Geometry & MOs

Info

ID:	37138
PubChem CID:	8017345
Reduced:	ClSO3N4H11C14 (1)
Stoich.:	ABC3D4E11F14 (1)
Weight, g/mol:	306.042276
ΔH_f, kcal/mol:	28.46
Dipole, Da:	2.98
IP(EA), eV:	-9.52(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-carbonylamino)-3-(4-nitrophenyl)thiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations