Geometry & MOs

Info

ID:	224421
PubChem CID:	85342753
Reduced:	N5O9C17H21 (1)
Stoich.:	A5B9C17D21 (1)
Weight, g/mol:	437.981896
ΔH_f, kcal/mol:	-342.6
Dipole, Da:	3.15
IP(EA), eV:	-9.89(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,10-bis(3-chlorophenyl)-7,14-dithia-2,9-diazatricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),5,9,12-hexaene

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)N2C3=NC(=NC(=O)C3N(C2=O)C)N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations