Geometry & MOs

Info

ID:	437271
PubChem CID:	135220716
Reduced:	FO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	528.251875
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	5.85
IP(EA), eV:	-8.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3H-2,1,3-benzoxadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C2=C3N(CCCO3)N=C2C4=CC=C(C=C4)F

DOS

IR

Vibrations