Geometry & MOs

Info

ID:	438575
PubChem CID:	135228319
Reduced:	NSO4C14H25 (1)
Stoich.:	ABC4D14E25 (1)
Weight, g/mol:	464.171414
ΔH_f, kcal/mol:	-220.02
Dipole, Da:	7.2
IP(EA), eV:	-9.46(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[2-(7-chloro-1-hydroxy-3-oxo-1H-benzo[de]isoquinolin-2-yl)ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1CCS(=O)(=O)C12CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations