Geometry & MOs

Info

ID:	123010
PubChem CID:	50830336
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	428.159689
ΔH_f, kcal/mol:	-118.72
Dipole, Da:	10.9
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations