Geometry & MOs

Info

ID:	129621
PubChem CID:	51073326
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	6.46
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2-quinolin-8-ylsulfanylacetyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CN(C)C(=O)CSC2=CC=NC=C2

DOS

IR

Vibrations