Geometry & MOs

Info

ID:	11955
PubChem CID:	124231
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	54.82
Dipole, Da:	9.36
IP(EA), eV:	-8.28(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2-aminoethylamino)-14-[2-(ethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,6,9,11,13(16)-hexaen-5-one

Drug info:

PubChemData

Smile

CCNCCN1C2=C3C(=C4C=CC(=O)C=C4SC3=C(C=C2)NCCN)N1

DOS

IR

Vibrations