Geometry & MOs

Info

ID:	195665
PubChem CID:	78719790
Reduced:	FOSN5C20H20 (1)
Stoich.:	ABCD5E20F20 (1)
Weight, g/mol:	362.096123
ΔH_f, kcal/mol:	15.41
Dipole, Da:	5.99
IP(EA), eV:	-8.29(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(CCC2)C=C1)SC3=NN=C(N3N)C4=CC=CC=C4F

DOS

IR

Vibrations