Geometry & MOs

Info

ID:	184489
PubChem CID:	77168696
Reduced:	NSO6C23H25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-202.9
Dipole, Da:	3.11
IP(EA), eV:	-9.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-ethoxy-8-methoxy-6-(2-methoxypyrimidin-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=CC1=CC(=CC=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)OC3CCCC3)C(=O)O

DOS

IR

Vibrations