Geometry & MOs

Info

ID:	46914
PubChem CID:	10528330
Reduced:	N5C30H39 (1)
Stoich.:	A5B30C39 (1)
Weight, g/mol:	469.111457
ΔH_f, kcal/mol:	80.08
Dipole, Da:	4.18
IP(EA), eV:	-8.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-(4-chlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CNCCNCCNCCNCCNCC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations