Geometry & MOs

Info

ID:	207626
PubChem CID:	80428715
Reduced:	O2S2N3C13H23 (1)
Stoich.:	A2B2C3D13E23 (1)
Weight, g/mol:	289.091869
ΔH_f, kcal/mol:	-70.31
Dipole, Da:	2.15
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(propan-2-ylamino)-4-(1,2,4-thiadiazol-5-ylsulfanyl)pentanoic acid

Drug info:

PubChemData

Smile

CCNC(C)(CCCSC1=NC(=NS1)C)C(=O)OCC

DOS

IR

Vibrations