Geometry & MOs

Info

ID:	435263
PubChem CID:	135187148
Reduced:	Cl2S2F5N5O7H20C31 (1)
Stoich.:	A2B2C5D5E7F20G31 (1)
Weight, g/mol:	418.355929
ΔH_f, kcal/mol:	-409.27
Dipole, Da:	16.55
IP(EA), eV:	-8.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecanoic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)NS(=O)(=O)C3=CNC4=C3C=CC(=C4)Cl)OC(=O)N2.C1=CC2=C(C=C1OCC(F)(F)F)NC=C2S(=O)(=O)NC3=CC(=C(C=C3F)Cl)F

DOS

IR

Vibrations