Geometry & MOs

Info

ID:	385774
PubChem CID:	134979955
Reduced:	NO3C17H17 (2)
Stoich.:	AB3C17D17 (2)
Weight, g/mol:	779.055049
ΔH_f, kcal/mol:	-189.33
Dipole, Da:	2.93
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1([C@H](CC(=O)N1C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)OC(=O)[C@H]4CCC=C[C@H]4NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations