Geometry & MOs

Info

ID:	222630
PubChem CID:	85305653
Reduced:	NSO5C19H29 (1)
Stoich.:	ABC5D19E29 (1)
Weight, g/mol:	383.21303
ΔH_f, kcal/mol:	-238.54
Dipole, Da:	6.28
IP(EA), eV:	-10.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 3-(tert-butylsulfinylamino)-2,5-dimethylhexanoate

Drug info:

PubChemData

Smile

CC(=O)CCC(C)(C(=O)C)C(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O

DOS

IR

Vibrations