Geometry & MOs

Info

ID:	334427
PubChem CID:	127252979
Reduced:	SN3O8C30H31 (1)
Stoich.:	AB3C8D30E31 (1)
Weight, g/mol:	368.127326
ΔH_f, kcal/mol:	-240.43
Dipole, Da:	10.13
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(pyrimidin-2-ylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C(=C(O2)C3=CC=C(C=C3)OC)CC(=O)NCCS(=O)(=O)N4C[C@H]5C[C@@H](C4)C6=CC=CC(=O)N6C5

DOS

IR

Vibrations