Geometry & MOs

Info

ID:	223712
PubChem CID:	85335463
Reduced:	O3N5C30H33 (1)
Stoich.:	A3B5C30D33 (1)
Weight, g/mol:	516.186498
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	9.38
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5C(NC(C(=O)N5)CO)C6=CC=CC=C6

DOS

IR

Vibrations