Geometry & MOs

Info

ID:	177265
PubChem CID:	76156831
Reduced:	F3O3N4H27C28 (1)
Stoich.:	A3B3C4D27E28 (1)
Weight, g/mol:	502.142613
ΔH_f, kcal/mol:	-199.82
Dipole, Da:	4.38
IP(EA), eV:	-9.17(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-6-[5-chloro-2-(ethoxycarbonylamino)phenyl]-7-methyl-6a,7,8,10a-tetrahydro-6H-phenanthridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C1CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=CC=C4)OC(F)(F)F)C5CCCC5)C

DOS

IR

Vibrations