Geometry & MOs

Info

ID:	243522
PubChem CID:	99225982
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	385.147156
ΔH_f, kcal/mol:	11.66
Dipole, Da:	4.27
IP(EA), eV:	-8.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1-methylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C(=NC2=C1)C)CCC(=O)N[C@@H](C)CN(C)C3=CC=CC=C3)C

DOS

IR

Vibrations