Geometry & MOs

Info

ID:	123013
PubChem CID:	50830391
Reduced:	ClO2N6H19C22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	494.150267
ΔH_f, kcal/mol:	45.64
Dipole, Da:	4.77
IP(EA), eV:	-9.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)N3C4=CN(N=C4C(=O)N(C3=N2)CC5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations