Geometry & MOs

Info

ID:	43936
PubChem CID:	10322188
Reduced:	Cl2N3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	464.152078
ΔH_f, kcal/mol:	-76.39
Dipole, Da:	4.32
IP(EA), eV:	-7.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-2-[1-[2-(tetrazol-1-yl)phenyl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=CC(=C1)NC(=O)C2CCCN2/N=C/C3=C(C=CC=C3Cl)Cl)OC

DOS

IR

Vibrations