Geometry & MOs

Info

ID:	389208
PubChem CID:	134991579
Reduced:	NRuSO2C36H43 (1)
Stoich.:	ABCD2E36F43 (1)
Weight, g/mol:	393.17625
ΔH_f, kcal/mol:	77.47
Dipole, Da:	13.95
IP(EA), eV:	-8.07(-3.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1,2-diphenyl-3-(2,4,6-trimethylphenyl)sulfonylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)[CH-][C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)[NH-])C.CC1=C(C(=C(C(=C1C)C)C)C)C.[Ru+2]

DOS

IR

Vibrations