Geometry & MOs

Info

ID:	340186
PubChem CID:	127262195
Reduced:	NNaSO5C11H14 (1)
Stoich.:	ABCD5E11F14 (1)
Weight, g/mol:	399.171559
ΔH_f, kcal/mol:	-241.06
Dipole, Da:	11.12
IP(EA), eV:	-9.61(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-(benzenesulfonylmethyl)-2-methyl-5-(oxan-2-yloxy)pentan-2-yl] carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[N-]C(=O)OCCOC.[Na+]

DOS

IR

Vibrations