Geometry & MOs

Info

ID:	313525
PubChem CID:	126615369
Reduced:	BrNSO3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	275.2613
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	5.0
IP(EA), eV:	-8.4(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,18-dimethyl-16-azabicyclo[12.4.0]octadeca-15,17-diene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(C(=O)C2=CC=CC=C2)SC3=C(C=CC(=C3)Br)OC

DOS

IR

Vibrations