Geometry & MOs

Info

ID:	307655
PubChem CID:	125307927
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	335.109233
ΔH_f, kcal/mol:	-6.44
Dipole, Da:	3.44
IP(EA), eV:	-8.97(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[(3-methylphenyl)methylsulfanyl]-2H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=NC1)CC2=CC=CS2

DOS

IR

Vibrations