Geometry & MOs

Info

ID:	28077
PubChem CID:	825393
Reduced:	SO3N4H10C11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	294.042276
ΔH_f, kcal/mol:	21.04
Dipole, Da:	3.38
IP(EA), eV:	-9.74(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations