Geometry & MOs

Info

ID:	165325
PubChem CID:	74532315
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	280.075587
ΔH_f, kcal/mol:	-13.43
Dipole, Da:	6.57
IP(EA), eV:	-8.97(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3,4-dimethyl-6-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC(=O)C(=C)C(=N2)C)C)CCC(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations