Geometry & MOs

Info

ID:	57679
PubChem CID:	22432187
Reduced:	O3N7C27H27 (1)
Stoich.:	A3B7C27D27 (1)
Weight, g/mol:	381.066238
ΔH_f, kcal/mol:	44.98
Dipole, Da:	7.03
IP(EA), eV:	-8.35(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)NC3=NC4=CC=CC=C4N5C3=NN=N5)OCC

DOS

IR

Vibrations