Geometry & MOs

Info

ID:	68387
PubChem CID:	46508319
Reduced:	FS2N3O4H14C17 (1)
Stoich.:	AB2C3D4E14F17 (1)
Weight, g/mol:	423.15291
ΔH_f, kcal/mol:	-113.24
Dipole, Da:	3.2
IP(EA), eV:	-9.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)CSC2=NC=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations