Geometry & MOs

Info

ID:	170412
PubChem CID:	75230374
Reduced:	NO3H23C30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	463.27563
ΔH_f, kcal/mol:	21.83
Dipole, Da:	2.87
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[1-[14-(methoxymethoxy)-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]ethyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(N2C1C3=CC=CC=C3OC4=CC=CC=C42)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations