Geometry & MOs

Info

ID:	417963
PubChem CID:	135103180
Reduced:	N2S2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	5.14
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC(=O)O)CN3CCSCC3

DOS

IR

Vibrations