Geometry & MOs

Info

ID:	120959
PubChem CID:	50751724
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	453.102624
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	4.12
IP(EA), eV:	-9.0(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations