Geometry & MOs

Info

ID:	426352
PubChem CID:	135143549
Reduced:	SF2O3N6C25H26 (1)
Stoich.:	AB2C3D6E25F26 (1)
Weight, g/mol:	474.06242
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	7.26
IP(EA), eV:	-9.33(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(7R)-7-(5-bromo-2-fluorophenyl)-7-methyl-5,5-dioxo-5lambda6-thia-8-azaspiro[3.5]non-8-en-9-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C(=N[C@](CS1(=O)=O)(C=C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OCCN4C=CC=N4)\F)F)N)C

DOS

IR

Vibrations