Geometry & MOs

Info

ID:	170257
PubChem CID:	75213615
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	374.163043
ΔH_f, kcal/mol:	-162.94
Dipole, Da:	10.57
IP(EA), eV:	-8.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-quinolin-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CNS(=O)(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations