Geometry & MOs

Info

ID:	202420
PubChem CID:	79670908
Reduced:	NSO4C11H23 (1)
Stoich.:	ABC4D11E23 (1)
Weight, g/mol:	293.16608
ΔH_f, kcal/mol:	-210.11
Dipole, Da:	5.79
IP(EA), eV:	-9.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate

Drug info:

PubChemData

Smile

CC(C)NC(C)(CCSCC(CO)O)C(=O)O

DOS

IR

Vibrations