Geometry & MOs

Info

ID:	123057
PubChem CID:	50831632
Reduced:	NSO2H21C23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	478.156495
ΔH_f, kcal/mol:	1.92
Dipole, Da:	2.83
IP(EA), eV:	-8.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-fluoro-4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimido[5,4-b]indol-5-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C=C(O2)C3=CC=CC=C3)C(=O)NCCCC4=CC=CC=C4

DOS

IR

Vibrations