Geometry & MOs

Info

ID:	187048
PubChem CID:	77525744
Reduced:	N2O2C33H40 (1)
Stoich.:	A2B2C33D40 (1)
Weight, g/mol:	398.209324
ΔH_f, kcal/mol:	-66.81
Dipole, Da:	4.6
IP(EA), eV:	-9.33(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(2,14,16-trimethyl-6-oxo-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadeca-3(5),7-dien-15-yl)butanoic acid

Drug info:

PubChemData

Smile

CCCCC1(CCC2(C(C1)CCC3=C2C=CC(=C3)C(=O)NCC4=C(N=CC=C4)C)CC5=CC=CC=C5)O

DOS

IR

Vibrations