Geometry & MOs

Info

ID:	892
PubChem CID:	3491
Reduced:	SN3O9C13H23 (1)
Stoich.:	AB3C9D13E23 (1)
Weight, g/mol:	397.115501
ΔH_f, kcal/mol:	-356.9
Dipole, Da:	3.03
IP(EA), eV:	-9.6(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-methyl-3-nitrososulfanyl-1-oxo-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C(C(=O)NC1C(C(C(C(O1)CO)O)O)O)NC(=O)OC)SN=O

DOS

IR

Vibrations