Geometry & MOs

Info

ID:	80685
PubChem CID:	49835879
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	315.067762
ΔH_f, kcal/mol:	54.74
Dipole, Da:	7.51
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-8-yl)acetate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations