Geometry & MOs

Info

ID:	221331
PubChem CID:	85267709
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	402.167853
ΔH_f, kcal/mol:	-48.38
Dipole, Da:	5.14
IP(EA), eV:	-9.58(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 15-acetyloxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylate

Drug info:

PubChemData

Smile

CN1C2C(N=C1C3=CC4=C(C=C3)C=C(C=C4)C(=O)OC)N(C(=O)N(C2=O)CC#C)C

DOS

IR

Vibrations