Geometry & MOs

Info

ID:	45172
PubChem CID:	10508702
Reduced:	ClN3O5H38C40 (1)
Stoich.:	AB3C5D38E40 (1)
Weight, g/mol:	659.487337
ΔH_f, kcal/mol:	-77.3
Dipole, Da:	8.03
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](COC[C@@H](N1C(=O)C(=N2)CCCN3C(=C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=C(C=C6)OCC7=CC=CC=C7)Cl

DOS

IR

Vibrations