Geometry & MOs

Info

ID:	435147
PubChem CID:	135181990
Reduced:	FSO2N5C21H26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	475.115519
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	11.51
IP(EA), eV:	-9.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(5R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methylidene-4-oxo-7-oxa-1,3-diazaspiro[4.4]nonan-1-yl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=N/C(=C(\C=O)/C#N)/C2=CC(=C(N=C2)C(C)(C)C)F)SC1)C

DOS

IR

Vibrations