Geometry & MOs

Info

ID:	120961
PubChem CID:	50751867
Reduced:	FN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	377.071324
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	4.78
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=NO2)NC(=O)C(C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations