Geometry & MOs

Info

ID:	28772
PubChem CID:	829518
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	306.093918
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	5.16
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C=NNC(=O)C)O)C=NNC(=O)C

DOS

IR

Vibrations