Geometry & MOs

Info

ID:	30628
PubChem CID:	841590
Reduced:	SN3O4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	345.033876
ΔH_f, kcal/mol:	-56.31
Dipole, Da:	5.97
IP(EA), eV:	-8.69(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations