Geometry & MOs

Info

ID:	290307
PubChem CID:	104426632
Reduced:	FN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-168.12
Dipole, Da:	2.37
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCNC(=O)C1=C(C=C(C=C1)F)N

DOS

IR

Vibrations