Geometry & MOs

Info

ID:	314642
PubChem CID:	126622539
Reduced:	F4N7H13C19 (1)
Stoich.:	A4B7C13D19 (1)
Weight, g/mol:	417.075647
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	7.33
IP(EA), eV:	-9.19(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(4-nitrophenyl)sulfonyl-6-phenylmethoxy-3,6-dihydro-2H-pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2)C(=NC(=N3)C4=NC(=CC=C4)C(F)(F)F)NC5=C(C=NC=C5)F

DOS

IR

Vibrations