Geometry & MOs

Info

ID:	312372
PubChem CID:	126604476
Reduced:	NO3C23H47 (1)
Stoich.:	AB3C23D47 (1)
Weight, g/mol:	439.091201
ΔH_f, kcal/mol:	-180.99
Dipole, Da:	4.76
IP(EA), eV:	-9.19(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [4-[9-(methoxysulfanylmethyl)phenanthridin-6-yl]phenyl]methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(CCCCCCCC(CCCCCCCC(C)(C)CO)O)CN=O

DOS

IR

Vibrations