Geometry & MOs

Info

ID:	284978
PubChem CID:	104087338
Reduced:	SN2O2C9H20 (1)
Stoich.:	AB2C2D9E20 (1)
Weight, g/mol:	249.139865
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	5.12
IP(EA), eV:	-8.66(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(ethylamino)-3-(1-hydroxypropan-2-ylsulfanyl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(CO)SCCC(C)(C(=O)N)NC

DOS

IR

Vibrations