Geometry & MOs

Info

ID:	145783
PubChem CID:	53592391
Reduced:	NOSH6C8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	347.175753
ΔH_f, kcal/mol:	5.56
Dipole, Da:	3.0
IP(EA), eV:	-9.21(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-propan-2-yloxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(=O)C1=CSC(=C1)C2=CSC(=N2)C3=CC(=CC=C3)C(=O)N

DOS

IR

Vibrations