Geometry & MOs

Info

ID:	187130
PubChem CID:	77534552
Reduced:	N4O5C46H64 (1)
Stoich.:	A4B5C46D64 (1)
Weight, g/mol:	342.137971
ΔH_f, kcal/mol:	-173.18
Dipole, Da:	15.45
IP(EA), eV:	-8.26(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5'-anilino-4-(2-fluoroethyl)spiro[1,3-dioxane-2,3'-1H-indole]-2'-one

Drug info:

PubChemData

Smile

CCCCC(CC)COC1=C(C(=O)C=CC1=C2NC(NC(=C3C=CC(=O)C(=C3OCC(CC)CCCC)C)N2)C4=CN(C5=C4C=C(C=C5)OC)C(C)(C)C)C

DOS

IR

Vibrations