Geometry & MOs

Info

ID:	297743
PubChem CID:	117628487
Reduced:	FO2S2N6C27H33 (1)
Stoich.:	AB2C2D6E27F33 (1)
Weight, g/mol:	489.147075
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	3.0
IP(EA), eV:	-8.73(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(benzenesulfonyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=CC2=N1)C3CCN(CC3)S(=O)(=O)CCCN)NCC4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations