Geometry & MOs

Info

ID:	226829
PubChem CID:	87558549
Reduced:	ClOSN2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	281.129694
ΔH_f, kcal/mol:	-40.9
Dipole, Da:	2.94
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-methylsulfonyloxyethylamino)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)CC(=O)N2CCC(CC2)C(=S)N

DOS

IR

Vibrations