Geometry & MOs

Info

ID:	193431
PubChem CID:	78394690
Reduced:	NCl2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	356.095654
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	8.0
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCCCN1CC2C(CCC3C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

DOS

IR

Vibrations