Geometry & MOs

Info

ID:	143665
PubChem CID:	53245509
Reduced:	FO3N9H20C23 (1)
Stoich.:	AB3C9D20E23 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	57.82
Dipole, Da:	7.84
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-6-phenyl-N-(1-pyridin-2-ylethyl)-1-pyridin-2-ylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)C4=CC=C(C=C4)F)NCC5=NC6=C(N5)C=CC=C6[N+](=O)[O-]

DOS

IR

Vibrations