Geometry & MOs

Info

ID:	2882
PubChem CID:	8776
Reduced:	SO3N4C6H8 (1)
Stoich.:	AB3C4D6E8 (1)
Weight, g/mol:	216.031711
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	5.18
IP(EA), eV:	-9.86(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations