Geometry & MOs

Info

ID:	133570
PubChem CID:	51554465
Reduced:	FNO4H24C25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	442.152872
ΔH_f, kcal/mol:	-123.61
Dipole, Da:	7.67
IP(EA), eV:	-8.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4'R)-3'-(2,4-dimethoxyphenyl)-4'-(4-methylbenzoyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)COC3=CC=C(C=C3)F)C4=CC=CC=C4)OC

DOS

IR

Vibrations