Geometry & MOs

Info

ID:	344344
PubChem CID:	127267520
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	333.123718
ΔH_f, kcal/mol:	-43.94
Dipole, Da:	4.8
IP(EA), eV:	-8.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=NC(=O)C=C(N1)C)SC2=CC=CC=C2

DOS

IR

Vibrations