Geometry & MOs

Info

ID:	191155
PubChem CID:	78112215
Reduced:	BrOH9C10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	540.302179
ΔH_f, kcal/mol:	-11.12
Dipole, Da:	2.1
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 15-[(2-methoxyphenyl)carbamothioyl]-5,9,13-trimethyl-16-oxa-15-azapentacyclo[11.5.1.01,10.04,9.014,18]nonadecane-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3(C2(Br)Br)CCCC4=CC=CC=C4C3=O

DOS

IR

Vibrations