Geometry & MOs

Info

ID:	242846
PubChem CID:	99213352
Reduced:	FSN2O3C24H29 (1)
Stoich.:	ABC2D3E24F29 (1)
Weight, g/mol:	462.198857
ΔH_f, kcal/mol:	-148.11
Dipole, Da:	4.24
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NCC1(CCOCC1)C2=CC(=CC=C2)F)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations