Geometry & MOs

Info

ID:	446362
PubChem CID:	135274397
Reduced:	SN2O6C10H15 (2)
Stoich.:	AB2C6D10E15 (2)
Weight, g/mol:	353.223594
ΔH_f, kcal/mol:	-552.94
Dipole, Da:	13.28
IP(EA), eV:	-9.8(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfonylethyl)-1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-amine

Drug info:

PubChemData

Smile

C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCC(=O)O)C(=O)NCC(=O)O)CC(=O)O

DOS

IR

Vibrations