Geometry & MOs

Info

ID:	320023
PubChem CID:	126657930
Reduced:	ClFO2N5C33H39 (1)
Stoich.:	ABC2D5E33F39 (1)
Weight, g/mol:	253.150036
ΔH_f, kcal/mol:	-72.78
Dipole, Da:	11.84
IP(EA), eV:	-8.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]butane-2-sulfinamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)CC(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)/C=C/CN6CCCCC6

DOS

IR

Vibrations