Geometry & MOs

Info

ID:	67583
PubChem CID:	46506766
Reduced:	SO3N6H16C18 (1)
Stoich.:	AB3C6D16E18 (1)
Weight, g/mol:	380.105545
ΔH_f, kcal/mol:	50.12
Dipole, Da:	8.68
IP(EA), eV:	-8.85(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=C(N=N2)C3=NSC(=N3)NC(=O)C4=CC=CO4)C

DOS

IR

Vibrations