Geometry & MOs

Info

ID:	225670
PubChem CID:	87225343
Reduced:	NSO5C9H20 (1)
Stoich.:	ABC5D9E20 (1)
Weight, g/mol:	220.92585
ΔH_f, kcal/mol:	-218.89
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755081
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-(1,3-thiazol-2-yl)urea

Drug info:

PubChemData

Smile

CCC(C(C)(C(=O)O)[N+](C)(C)C)S(=O)(=O)O

DOS

IR

Vibrations