Geometry & MOs

Info

ID:	133706
PubChem CID:	51576924
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	289.073893
ΔH_f, kcal/mol:	-81.36
Dipole, Da:	1.82
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16R)-16-acetyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NNC(=O)[C@@H]1CC(=O)N(C1)CC2=CC=CC=C2)OC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations