Geometry & MOs

Info

ID:	155573
PubChem CID:	56365957
Reduced:	SN2O5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	411.073215
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	6.18
IP(EA), eV:	-8.94(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations