Geometry & MOs

Info

ID:	177759
PubChem CID:	76227101
Reduced:	NSCl2O5C19H23 (1)
Stoich.:	ABC2D5E19F23 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-206.19
Dipole, Da:	8.58
IP(EA), eV:	-9.68(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations