Geometry & MOs

Info

ID:	34394
PubChem CID:	7891067
Reduced:	N3O7C19H19 (1)
Stoich.:	A3B7C19D19 (1)
Weight, g/mol:	402.098432
ΔH_f, kcal/mol:	-186.25
Dipole, Da:	7.97
IP(EA), eV:	-9.27(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations