Geometry & MOs

Info

ID:	237433
PubChem CID:	92719198
Reduced:	N2O5H24C25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	1.14
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7R)-4-(2-ethoxyphenyl)-7-(2-hydroxyphenyl)-3-methyl-4,6,7,8-tetrahydro-2H-[1,2]oxazolo[5,4-b]quinolin-5-one

Drug info:

PubChemData

Smile

CC1=C2[C@H](C3=C(C[C@@H](CC3=O)C4=CC=CC=C4O)N=C2ON1)C5=C(C(=CC=C5)OC)OC

DOS

IR

Vibrations