Geometry & MOs

Info

ID:	249412
PubChem CID:	103089260
Reduced:	NSO2C9H19 (1)
Stoich.:	ABC2D9E19 (1)
Weight, g/mol:	219.1293
ΔH_f, kcal/mol:	-113.38
Dipole, Da:	4.53
IP(EA), eV:	-8.71(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methylsulfanyl-2-(propan-2-ylamino)pentanoate

Drug info:

PubChemData

Smile

CC(C)NC(CCCSC)C(=O)O

DOS

IR

Vibrations