Geometry & MOs

Info

ID:	391566
PubChem CID:	135006566
Reduced:	NPSO2C13H30 (1)
Stoich.:	ABCD2E13F30 (1)
Weight, g/mol:	456.171677
ΔH_f, kcal/mol:	-163.34
Dipole, Da:	0.84
IP(EA), eV:	-7.97(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(1S,2S)-2-[[(R)-tert-butylsulfinyl]amino]-1,2-bis(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CCP(=O)(CC)[C@](C)(C(C)C)N[S@@](=O)C(C)(C)C

DOS

IR

Vibrations