Geometry & MOs

Info

ID:	25178
PubChem CID:	620826
Reduced:	NSBr2H3C4 (1)
Stoich.:	ABC2D3E4 (1)
Weight, g/mol:	370.262028
ΔH_f, kcal/mol:	46.44
Dipole, Da:	1.06
IP(EA), eV:	-9.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-yl) acetate

Drug info:

PubChemData

Smile

CC1=NSC(=C1Br)Br

DOS

IR

Vibrations