Geometry & MOs

Info

ID:	225352
PubChem CID:	85756504
Reduced:	NOSH9C11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	300.068097
ΔH_f, kcal/mol:	82.67
Dipole, Da:	5.23
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1C=C2C3(C4=CCSC41)C(=CN2)C3=O

DOS

IR

Vibrations