Geometry & MOs

Info

ID:	414378
PubChem CID:	135087334
Reduced:	N2O6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-260.77
Dipole, Da:	4.07
IP(EA), eV:	-9.21(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)[C@H]([C@](CCO3)(C)NC(=O)COC)O)O

DOS

IR

Vibrations