Geometry & MOs

Info

ID:	423503
PubChem CID:	135119622
Reduced:	SN2O4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	379.120192
ΔH_f, kcal/mol:	-161.19
Dipole, Da:	8.13
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4S)-3-(dimethylsulfamoylmethyl)-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)OC

DOS

IR

Vibrations