Geometry & MOs

Info

ID:	237399
PubChem CID:	92719045
Reduced:	ClN3O4H24C27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	456.063459
ΔH_f, kcal/mol:	-80.78
Dipole, Da:	3.85
IP(EA), eV:	-9.5(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations