Geometry & MOs

Info

ID:	37666
PubChem CID:	8022984
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	5.37
IP(EA), eV:	-8.75(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,13S,14S,16S)-3-acetyl-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.05,10]nonadeca-5,7,9,11-tetraen-15-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)/C=N\NC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC=C3

DOS

IR

Vibrations