Geometry & MOs

Info

ID:	79375
PubChem CID:	49748321
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	447.125277
ΔH_f, kcal/mol:	-22.16
Dipole, Da:	7.33
IP(EA), eV:	-8.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(1,2-benzoxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)CN3C=NC4=CC=CC=C43)N(C1)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations