Geometry & MOs

Info

ID:	242624
PubChem CID:	97857604
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	309.139865
ΔH_f, kcal/mol:	-132.51
Dipole, Da:	3.8
IP(EA), eV:	-8.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methylsulfonyl-1-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(N(C2=CC=CC=C12)C(=O)[C@H](C)S(=O)(=O)C)(C)C

DOS

IR

Vibrations