Geometry & MOs

Info

ID:	173510
PubChem CID:	75647229
Reduced:	F4N4H14C19 (1)
Stoich.:	A4B4C14D19 (1)
Weight, g/mol:	493.097538
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	8.28
IP(EA), eV:	-9.87(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-chlorophenyl)-7-(2-methoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CC(=NC3=NC(=NN23)C(F)(F)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations