Geometry & MOs

Info

ID:	133580
PubChem CID:	51557502
Reduced:	Cl2N2S3O4H13C14 (1)
Stoich.:	A2B2C3D4E13F14 (1)
Weight, g/mol:	495.171559
ΔH_f, kcal/mol:	-75.15
Dipole, Da:	7.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.081846
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4R,6R,7R)-7-(3-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N-]S(=O)(=O)C3=CC=C(S3)Cl)Cl

DOS

IR

Vibrations