Geometry & MOs

Info

ID:	123386
PubChem CID:	50845447
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	421.135031
ΔH_f, kcal/mol:	-51.61
Dipole, Da:	4.23
IP(EA), eV:	-8.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-fluoro-5-[(3-fluorophenyl)methyl]pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC(=C(S2)C(=O)NC3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations