Geometry & MOs

Info

ID:	314593
PubChem CID:	126622383
Reduced:	FN2O3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	312.041607
ΔH_f, kcal/mol:	-200.41
Dipole, Da:	5.69
IP(EA), eV:	-9.53(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C[C@@H](C2CC(CN2C(=O)OC(C)(C)C)F)O

DOS

IR

Vibrations