Geometry & MOs

Info

ID:	309254
PubChem CID:	126541157
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	434.027012
ΔH_f, kcal/mol:	-133.12
Dipole, Da:	3.32
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[3-chloro-N-(3-chloropropylsulfonyl)-4-fluoroanilino]methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations