Geometry & MOs

Info

ID:	426347
PubChem CID:	135143544
Reduced:	SN2O4C12H22 (1)
Stoich.:	AB2C4D12E22 (1)
Weight, g/mol:	416.214507
ΔH_f, kcal/mol:	-185.21
Dipole, Da:	3.11
IP(EA), eV:	-10.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(7R)-7-[(E)-3-fluoro-3,4-dimethylpent-1-enyl]-7-methyl-5,5-dioxo-5lambda6-thia-8-azaspiro[3.5]non-8-en-9-yl]carbamate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1(CCC1)/C(=N/C(=O)OC(C)(C)C)/N

DOS

IR

Vibrations