Geometry & MOs

Info

ID:	250273
PubChem CID:	103095278
Reduced:	SN3O3C10H17 (1)
Stoich.:	AB3C3D10E17 (1)
Weight, g/mol:	269.029269
ΔH_f, kcal/mol:	-38.41
Dipole, Da:	9.28
IP(EA), eV:	-9.31(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)COCCCNC1=NC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations