Geometry & MOs

Info

ID:	68675
PubChem CID:	46508879
Reduced:	N2S2O6C23H26 (1)
Stoich.:	A2B2C6D23E26 (1)
Weight, g/mol:	420.114378
ΔH_f, kcal/mol:	-177.56
Dipole, Da:	7.89
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenanthridin-6-ylmethyl 3-(ethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(OC(=N3)C4=CC=CS4)C

DOS

IR

Vibrations