Geometry & MOs

Info

ID:	61384
PubChem CID:	26708760
Reduced:	SF2O2N3H17C23 (1)
Stoich.:	AB2C2D3E17F23 (1)
Weight, g/mol:	476.103991
ΔH_f, kcal/mol:	-44.7
Dipole, Da:	8.28
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)sulfonyl-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N[C@@H](C3=CC=C(C=C3)F)C4=CC=CS4

DOS

IR

Vibrations