Geometry & MOs

Info

ID:	307122
PubChem CID:	125269219
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	488.13184
ΔH_f, kcal/mol:	-34.21
Dipole, Da:	4.48
IP(EA), eV:	-9.97(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-3-(4-ethoxyphenyl)-4-oxo-2H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)N=CCC2=O

DOS

IR

Vibrations