Geometry & MOs

Info

ID:	131236
PubChem CID:	51179197
Reduced:	SF2O2N3C17H19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	389.061632
ΔH_f, kcal/mol:	-119.47
Dipole, Da:	3.37
IP(EA), eV:	-8.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)NC2=C(C=C(C=C2)F)F)C3=CC=CS3

DOS

IR

Vibrations