Geometry & MOs

Info

ID:	159345
PubChem CID:	57269644
Reduced:	PO13C30H63 (1)
Stoich.:	AB13C30D63 (1)
Weight, g/mol:	424.092003
ΔH_f, kcal/mol:	-696.49
Dipole, Da:	5.75
IP(EA), eV:	-9.31(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-carbamoylphenyl)-5,12-dioxo-1,4,6,11-tetrazapentacyclo[6.4.0.02,10.03,7.06,9]dodeca-2(10),3(7),8-trien-11-yl]benzamide

Drug info:

PubChemData

Smile

CCCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCCC)OCCOCCOCCOCCCC

DOS

IR

Vibrations