Geometry & MOs

Info

ID:	324118
PubChem CID:	126676951
Reduced:	O2F4N7H14C18 (1)
Stoich.:	A2B4C7D14E18 (1)
Weight, g/mol:	397.155909
ΔH_f, kcal/mol:	-105.59
Dipole, Da:	6.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788688
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-methoxyphenyl)-5-(methylsulfonyloxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CN=[N+]=NC(=O)C1=CC(=C(C=C1)NCC2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F)F

DOS

IR

Vibrations