Geometry & MOs

Info

ID:	145617
PubChem CID:	53557245
Reduced:	OSF3N3H20C21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	340.058785
ΔH_f, kcal/mol:	-134.75
Dipole, Da:	2.58
IP(EA), eV:	-8.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC=C(S2)C(=O)NC3=C(C=C(C=C3)N(C)C)C(F)(F)F)C

DOS

IR

Vibrations