Geometry & MOs

Info

ID:	149073
PubChem CID:	53788744
Reduced:	OC4H5 (6)
Stoich.:	AB4C5 (6)
Weight, g/mol:	362.02966
ΔH_f, kcal/mol:	-226.66
Dipole, Da:	8.16
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-imino-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C(=O)OC2=C1C(=CC=C2)OCC=C(C)CCC=C(C)C)OC(=O)C

DOS

IR

Vibrations