Geometry & MOs

Info

ID:	178401
PubChem CID:	76322974
Reduced:	OS2N4H14C19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	325.117489
ΔH_f, kcal/mol:	92.81
Dipole, Da:	2.81
IP(EA), eV:	-8.58(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylideneamino]-3-(2-phenylethyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations