Geometry & MOs

Info

ID:	79423
PubChem CID:	49748545
Reduced:	SN3O5C27H27 (1)
Stoich.:	AB3C5D27E27 (1)
Weight, g/mol:	507.101955
ΔH_f, kcal/mol:	-132.4
Dipole, Da:	3.38
IP(EA), eV:	-8.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations