Geometry & MOs

Info

ID:	419035
PubChem CID:	135107371
Reduced:	SN2O7C17H24 (1)
Stoich.:	AB2C7D17E24 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-286.74
Dipole, Da:	6.13
IP(EA), eV:	-9.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pentanamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC)C(=O)O

DOS

IR

Vibrations