Geometry & MOs

Info

ID:	160514
PubChem CID:	57309862
Reduced:	N3O5C16H20 (1)
Stoich.:	A3B5C16D20 (1)
Weight, g/mol:	333.040583
ΔH_f, kcal/mol:	-123.46
Dipole, Da:	5.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.836329
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1(C[N+](=O)C(=N1)C2=C(C=C(C=N2)C3OCCO3)C(=O)O)C

DOS

IR

Vibrations