Geometry & MOs

Info

ID:	123065
PubChem CID:	50831781
Reduced:	SN5O5C19H23 (1)
Stoich.:	AB5C5D19E23 (1)
Weight, g/mol:	488.180818
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	14.09
IP(EA), eV:	-8.95(-1.09)
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-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NC(=NO2)CN3C=C(N=C3)S(=O)(=O)N4CCCCC4)OC

DOS

IR

Vibrations