Geometry & MOs

Info

ID:	123082
PubChem CID:	50832007
Reduced:	F2O3N6H20C24 (1)
Stoich.:	A2B3C6D20E24 (1)
Weight, g/mol:	476.160831
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	3.73
IP(EA), eV:	-8.64(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methoxy-4-oxopyrimido[5,4-b]indol-5-yl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)C)CC(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations