Geometry & MOs

Info

ID:	120963
PubChem CID:	50751919
Reduced:	ClN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	433.157246
ΔH_f, kcal/mol:	-14.55
Dipole, Da:	2.69
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethenylphenyl)methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=NO2)NC(=O)C(C)OC3=CC=CC=C3Cl

DOS

IR

Vibrations