Geometry & MOs

Info

ID:	28868
PubChem CID:	830162
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	276.039105
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	4.74
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methylidene-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one

Drug info:

PubChemData

Smile

C1[C@H](N[C@@H](C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)O

DOS

IR

Vibrations