Geometry & MOs

Info

ID:	142096
PubChem CID:	52979334
Reduced:	SO3N4C27H42 (1)
Stoich.:	AB3C4D27E42 (1)
Weight, g/mol:	539.337259
ΔH_f, kcal/mol:	-168.94
Dipole, Da:	7.22
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperidin-1-yl)-4-(9-phenyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-3,5-dien-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCCN4C(=O)C5C(C6CC(CCC6N5)OC)NC4=S

DOS

IR

Vibrations