Geometry & MOs

Info

ID:	28072
PubChem CID:	825382
Reduced:	O2N3H15C21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	310.088832
ΔH_f, kcal/mol:	47.53
Dipole, Da:	8.25
IP(EA), eV:	-8.9(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-phenylurea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations