Geometry & MOs

Info

ID:	441781
PubChem CID:	135244468
Reduced:	PN2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	464.01759
ΔH_f, kcal/mol:	18.5
Dipole, Da:	3.26
IP(EA), eV:	-8.83(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2,4-dichloro-3-[(2,2-difluoroacetyl)-methylamino]phenyl]methylsulfinylmethyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCN1CCC(CC1)C(=N)C2=C(C=C(C=C2)C)P

DOS

IR

Vibrations