Geometry & MOs

Info

ID:	341005
PubChem CID:	127263440
Reduced:	NSBr2O2C7H7 (1)
Stoich.:	ABC2D2E7F7 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-46.57
Dipole, Da:	1.67
IP(EA), eV:	-10.04(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(S1)C(Br)Br

DOS

IR

Vibrations