Geometry & MOs

Info

ID:	181318
PubChem CID:	76730750
Reduced:	ClFN2O3C30H34 (1)
Stoich.:	ABC2D3E30F34 (1)
Weight, g/mol:	502.142613
ΔH_f, kcal/mol:	-126.63
Dipole, Da:	6.7
IP(EA), eV:	-9.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[7-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-8-oxa-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2(CC1)N=C(C(=O)N2C(C3CC3)C4=CC=C(C=C4)C(=O)OC)C5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations