Geometry & MOs

Info

ID:	43908
PubChem CID:	10321966
Reduced:	NO3H25C31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	459.259403
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	3.66
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2S,8R,11S)-8-benzyl-3,6,9,12-tetraoxo-11-propan-2-yl-1,4,7,10-tetrazacyclododec-2-yl]propyl]guanidine

Drug info:

PubChemData

Smile

C1[C@H](N(CC1=O)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations